SCHEMBL11317680

SCHEMBL11317680

CNC(=S)NCCSCc1ncc(C)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.35
▸ LMNA P02545 7/20 0.35
▸ ALOX12 P18054 6/20 0.35
▸ HTT P42858 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PLA2G1B P04054 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ HRH2 P25021 2/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL11315853 0.85 SMN1; SMN2 (0.36) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL11311690 0.82 MAPT (0.38) MAPTLMNAALOX12HTTMEN1
SCHEMBL11321773 0.80 MAPT (0.44) MAPTLMNAALOX12HTTMEN1
SCHEMBL11321830 0.80 PHGDH (0.35) ALDH1A1HRH2HRH4HRH3
SCHEMBL11366384 0.79 CYP3A4 (0.41) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11312588 0.77 SMN1; SMN2 (0.39) MAPTLMNAALOX12HTTMEN1
SCHEMBL11321099 0.76 SMN1; SMN2 (0.38) MAPTLMNAALOX12HTTMEN1
SCHEMBL11321620 0.75 SMN1; SMN2 (0.39) MAPTLMNAALOX12HTTMEN1
SCHEMBL11366367 0.75 CYP3A4 (0.62) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11366359 0.75 CYP3A4 (0.62) MAPTLMNAMEN1KMT2ASMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4307101-A ANTIHISTAMINES AND ANTISECRETORY AGENTS OF THE THIOUREA OR UREA DERIVATIVES 5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-22 — — US disclosed
US-4293697-A ANTIHISTAMINES SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 — — US disclosed
US-4230865-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-28 — — US disclosed
US-4226874-A ANTIHISTAMINES, ANTISECRETORY AGENTS, GASTRIC JUICE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 — — US disclosed
US-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 — — US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 — — US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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