SCHEMBL7813674

SCHEMBL7813674

c1ccc(OCc2nc3cc(CSCc4cccnc4)ccc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.52
NPC1 O15118 10/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
TP53 P04637 4/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRMT5 O14744 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7813676 0.92 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7810876 0.81 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7808624 0.81 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7801911 0.78 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7813794 0.78 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL8475101 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7813668 0.75 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7810880 0.74 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL15552182 0.74 NPC1 (0.73) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7810244 0.74 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820990-B1 Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR (FR) 2001-01-17 EP disclosed
US-5972968-A INTERLEUKIN INHIBITOR ADIR ET COMPAGNIE (FR) 1999-10-26 US disclosed
EP-0820990-A2 Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR ET COMPAGNIE (FR) 1998-01-28 EP disclosed