SCHEMBL3143362

SCHEMBL3143362

CCCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
HTT P42858 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.43
TNF P01375 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3143379 1.00 RAB9A (0.44) RAB9AHTTGAALMNAMAPK1
SCHEMBL3151437 0.95 RAB9A (0.43) RAB9AHTTGAALMNAMAPK1
SCHEMBL3151441 0.95 RAB9A (0.43) RAB9AHTTGAALMNAMAPK1
SCHEMBL480764 0.94 LMNA (0.50) RAB9AHTTGAALMNAMAPK1
SCHEMBL2572062 0.94 LMNA (0.50) RAB9AHTTGAALMNAMAPK1
SCHEMBL480766 0.94 LMNA (0.50) RAB9AHTTGAALMNAMAPK1
SCHEMBL2572060 0.94 LMNA (0.50) RAB9AHTTGAALMNAMAPK1
SCHEMBL31094039 0.94 LMNA (0.50) RAB9AHTTGAALMNAMAPK1
SCHEMBL2568819 0.93 MAPK1 (0.51) RAB9AHTTGAALMNAMAPK1
SCHEMBL2568821 0.93 MAPK1 (0.51) RAB9AHTTGAALMNAMAPK1

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