SCHEMBL7808624

SCHEMBL7808624

c1ccc(OCc2nc3cc(CSc4ccncc4)ccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.54
NPC1 O15118 10/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
TP53 P04637 3/20 0.54
TSHR P16473 1/20 0.54
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7808631 0.91 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7813794 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL8475101 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7801871 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53TSHR
Hydrochloric Acid SCHEMBL8480228 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7813674 0.81 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7810244 0.80 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7807121 0.77 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7808665 0.76 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7801873 0.76 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