SCHEMBL3150809

SCHEMBL3150809

CNCCN(c1ccc(NC(=C2C(=O)Nc3cc(C(=O)OC)ccc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 2/20 0.35
SENP1 Q9P0U3 1/20 0.35
THRB P10828 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL3150802 1.00 POLB (0.41) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3156401 0.95 POLB (0.40) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3156414 0.95 POLB (0.40) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2572053 0.93 RXFP1 (0.41) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL2572055 0.93 RXFP1 (0.41) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL479708 0.92 POLB (0.40) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL479704 0.92 POLB (0.40) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL479706 0.92 POLB (0.40) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2566884 0.91 POLB (0.41) POLBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5313218 0.91 POLB (0.41) POLBRAB9ANPC1SMN1; SMN2MAPT

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