SCHEMBL10425542

SCHEMBL10425542

NCCCSCc1nccs1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ FBP1 P09467 2/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10736773 0.89 FDPS (0.40) FDPSALDH1A1TSHRNOS1HSD17B10
Bromide SCHEMBL11292435 0.87 FDPS (0.39) FDPSALDH1A1TSHRNOS1HSD17B10
Hydrochloric Acid SCHEMBL11728035 0.87 L3MBTL1 (0.40) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL10861108 0.79 MAPT (0.33) FDPSALDH1A1CYP2C19
SCHEMBL2170936 0.75 — —
Hydrochloric Acid SCHEMBL17184529 0.73 TSHR (0.39) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL8560648 0.73 HRH1 (0.40) FDPSALDH1A1TSHRNOS1HSD17B10
Hydrochloric Acid SCHEMBL27275786 0.73 TSHR (0.39) FDPSALDH1A1TSHRNOS1HSD17B10
SCHEMBL12854060 0.73 — —
SCHEMBL11445384 0.72 FDPS (0.42) FDPSALDH1A1TSHRNOS1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904792-A N-thiazolymethylthioalkyl-N'-alkylamidines and related compounds ELI LILLY AND COMPANY (US) 1990-02-27 — — US disclosed
US-4760075-A Miticides ELI LILLY AND COMPANY (US) 1988-07-26 — — US disclosed
EP-0091220-B1 THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1987-05-13 — — EP disclosed
US-4474794-A N-Thiazolylmethylthioalkyl-N1 -alkenyl (or alkynyl)guanidines and related compounds ELI LILLY AND COMPANY (US) 1984-10-02 — — US disclosed
EP-0091220-A2 Thiazole derivatives, process for their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1983-10-12 — — EP disclosed
US-4382090-A N-Thiazolylmethylthioalkyl-N'alkylamidines and related compounds ELI LILLY AND COMPANY (US) 1983-05-03 — — US disclosed
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 — — US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 — — US disclosed
US-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 — — US disclosed
US-4221802-A Pharmacologically active guanidine compounds for inhibiting H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-09 — — US disclosed
US-4216318-A HISTAMINE HZ-ANTAGONISTS, ISOCYTOSINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-05 — — US disclosed
US-4200578-A ANTIULCER AGENTS, BLOCKING AGENTS, ANTISECRETORY AGENTS BRISTOL-MYERS COMPANY (US) 1980-04-29 — — US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — US disclosed
US-4154834-A HETEROCYCLIC-(THIO)ALKYLAMINO SUBSTITUTED-4-PYRIMIDONE OR -THIONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
Send feedback