SCHEMBL6743598

SCHEMBL6743598

COc1ccc(C(=O)c2[nH]c(C)cc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47

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
SCHEMBL6742958 0.81 CYP1A2 (0.62) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL7678368 0.80 MAPT (0.51) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL4783318 0.80 ALDH1A1 (0.46) ALDH1A1MAPTRAB9ALMNAMAPK1
SCHEMBL11817806 0.75 HDAC3 (0.41) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL8207668 0.74 PDE4A (0.63) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL9418310 0.74 RXFP1 (0.79) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL51509 0.74 RXFP1 (0.79) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL28148908 0.74 NPC1 (0.51) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL7430668 0.73 NPSR1 (0.47) ALDH1A1GAAMAPTRAB9AKMT2A
SCHEMBL12362759 0.73 TUBB4A (0.72) ALDH1A1GAAMAPTRAB9AKMT2A

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
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed