SCHEMBL6630187

SCHEMBL6630187

COCCN(C)C(=O)c1cccc(N/C(=C2\C(=O)Nc3cc(OC(=O)OC)ccc32)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.41
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.36
KCNK9 Q9NPC2 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
ROCK2 O75116 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 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
SCHEMBL6632623 0.93 GYS1 (0.36) ATRALDH1A1SMN1; SMN2KCNK9MEN1
SCHEMBL6631222 0.93 ATR (0.37) ATRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6629085 0.91 ALDH1A1 (0.34) ATRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6629112 0.91 ALDH1A1 (0.34) ATRALDH1A1SMN1; SMN2KCNK9MEN1
SCHEMBL6628507 0.89 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KCNK9MEN1KMT2A
SCHEMBL3845190 0.88 RAB9A (0.43) ATRALDH1A1SMN1; SMN2NAMPTMEN1
SCHEMBL6629930 0.87 CASR (0.35) ALDH1A1KCNK9MEN1KMT2ANPC1
SCHEMBL6629666 0.85 ABL1 (0.46) MEN1KMT2A
SCHEMBL6632050 0.85 MCHR1 (0.41) ATRNAMPTMEN1KMT2ARAB9A
SCHEMBL6633056 0.84 ABL1 (0.43) ALDH1A1MEN1KMT2A

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-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 WO disclosed