SCHEMBL10857095

SCHEMBL10857095

CSc1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.59
NR3C1 P04150 10/20 0.49
NR3C2 P08235 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
DAO P14920 1/20 0.41

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
SCHEMBL20828256 0.78 TYMP (0.65) TYMPNR3C1NR3C2SMN1; SMN2KDM4E
SCHEMBL29974905 0.75 TYMP (0.49) TYMPNR3C1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4667572 0.75 TYMP (0.65) TYMPNR3C1NR3C2SMN1; SMN2KDM4E
SCHEMBL2672214 0.75 TYMP (1.00) TYMPNR3C1NR3C2KDM4EALDH1A1
SCHEMBL5197218 0.72 TYMP (0.57) TYMPNR3C1NR3C2SMN1; SMN2KDM4E
SCHEMBL10853896 0.71 TYMP (0.56) TYMPSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL10857015 0.71 LMNA (0.70) SMN1; SMN2ALDH1A1TSHRHTTLMNA
Diphenylmethane SCHEMBL10711103 0.70 CALM1 (0.63) TYMPNR3C1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9353995 0.70 TYMP (0.54) TYMPNR3C1NR3C2SMN1; SMN2KDM4E
SCHEMBL6300080 0.69 DHFR (0.48) TYMPNR3C1KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4600720-A HISTAMINE H2-ANTOAGONISTS, ANTISECRETORY; THIAZOLINE, QUINAZOLINE, QUINOLINE, PYRIMIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1986-07-15 US disclosed
US-4578459-A HISTAMINE H2-ANTAGONISTS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1986-03-25 US disclosed
US-4537779-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-08-27 US disclosed
US-4470985-A HISTAMINE H-2 ANTAGONISTS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1984-09-11 US disclosed
US-4467087-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-08-21 US disclosed
US-4399142-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-08-16 US disclosed
US-4374251-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-02-15 US disclosed
US-4341787-A ANTIHISTAMINES; ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-07-27 US disclosed
US-4282221-A Pharmacologically active compounds to inhibit H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-08-04 US disclosed
US-4260744-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-04-07 US disclosed
US-4181730-A ANTISECRETORY AGENTS, IMIDAZOLYALKYLIMIDAZOLINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-01-01 US disclosed
US-4153793-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-08 US disclosed
US-4104381-A HISTAMINE INHIBITORS, ((IMIDAZOLYLALKYL)AMINO)THIADIAZINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-01 US disclosed