SCHEMBL7706938

SCHEMBL7706938

N#CCC1C=CN=C(NCc2ccccc2)N1c1nc2ccccc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.37
RAB9A P51151 7/20 0.37
MEN1 O00255 7/20 0.37
NPC1 O15118 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 3/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL4197389 0.91 ILK (0.41) KMT2ARAB9AMEN1POLBSMN1; SMN2
SCHEMBL4192472 0.90 NPC1 (0.46) KMT2ARAB9AMEN1NPC1SMN1; SMN2
Acetonitrile SCHEMBL7707455 0.88 ILK (0.40) KMT2ARAB9AMEN1POLBSMN1; SMN2
SCHEMBL4192495 0.87 KDM4E (0.35) KMT2ARAB9AMEN1NPC1L3MBTL1
SCHEMBL4192273 0.86 MAPK9 (0.39) RAB9ANPC1POLBSMN1; SMN2LMNA
SCHEMBL4187924 0.86 RAB9A (0.36) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL6828604 0.85 IDO1 (0.37) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL4199489 0.85 KMT2A (0.37) KMT2ARAB9AMEN1NPC1POLB
Acetonitrile SCHEMBL7707679 0.84 RAB9A (0.35) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL4186367 0.84 ILK (0.37) POLBHPGDATMLMNAKDM4E

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