SCHEMBL3158308

SCHEMBL3158308

CNCC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(C(=O)OC)ccc32)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 2/20 0.42
AAK1 Q2M2I8 1/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
BACE1 P56817 1/20 0.36
CASP1 P29466 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 2/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL3158303 1.00 SENP1 (0.42) SENP1AAK1KMT2AMEN1ALDH1A1
SCHEMBL479497 0.93 SENP1 (0.45) SENP1KMT2AMEN1ALDH1A1RXFP1
SCHEMBL479498 0.93 SENP1 (0.45) SENP1KMT2AMEN1ALDH1A1RXFP1
SCHEMBL479496 0.93 SENP1 (0.45) SENP1KMT2AMEN1ALDH1A1RXFP1
SCHEMBL3156977 0.92 SENP1 (0.41) SENP1AAK1KMT2AMEN1ALDH1A1
SCHEMBL480549 0.92 SENP1 (0.41) SENP1AAK1KMT2AMEN1ALDH1A1
SCHEMBL2571128 0.92 SENP1 (0.41) SENP1AAK1KMT2AMEN1ALDH1A1
SCHEMBL480551 0.92 SENP1 (0.41) SENP1AAK1KMT2AMEN1ALDH1A1
SCHEMBL2571125 0.92 SENP1 (0.41) SENP1AAK1KMT2AMEN1ALDH1A1
SCHEMBL3156965 0.92 SENP1 (0.41) SENP1AAK1KMT2AMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed