SCHEMBL7813668

SCHEMBL7813668

CSC(c1cccnc1)c1ccc2[nH]c(COc3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.50
NPC1 O15118 11/20 0.50
SMN1; SMN2 Q16637 9/20 0.50
TP53 P04637 4/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7801912 0.84 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7810994 0.80 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7808597 0.77 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7808595 0.77 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7801911 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7801917 0.76 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7802149 0.75 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7813674 0.75 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL8403411 0.75 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL7810876 0.73 RAB9A (0.52) 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