SCHEMBL7707443

SCHEMBL7707443

COc1ccc(COC2=NC=CC(CC#N)N2c2nc3ccccc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
MAPT P10636 6/20 0.42
KMT2A Q03164 6/20 0.42
LMNA P02545 5/20 0.42
MEN1 O00255 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
GALK1 P51570 1/20 0.41
NPC1 O15118 5/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 2/20 0.39
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 3/20 0.37
GAA P10253 3/20 0.37

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
SCHEMBL7710188 0.94 LMNA (0.40) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL4203402 0.91 RAB9A (0.43) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL4190547 0.91 MAPK9 (0.39) RAB9AMAPTKMT2ALMNAMEN1
Acetonitrile SCHEMBL7707450 0.90 MAPK9 (0.38) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL4201459 0.89 LMNA (0.45) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL4203404 0.88 PTGS1 (0.36) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL4197137 0.88 MEN1 (0.41) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL4197970 0.87 GPX4 (0.35) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL5613992 0.87 PTGS1 (0.36) RAB9AKMT2AMEN1NPC1MAPK1
SCHEMBL4197270 0.86 PTGS1 (0.36) RAB9AMAPTKMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed