SCHEMBL7490637

SCHEMBL7490637

C/C(Nc1cccc(Cl)c1)=C1\C(=O)Nc2cc(C(N)=O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
KDR P35968 2/20 0.43
PARP1 P09874 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2569967 1.00 MEN1 (0.45) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2569965 1.00 MEN1 (0.45) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2571260 0.87 LRRK2 (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2571257 0.87 LRRK2 (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2567806 0.84 RXFP1 (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2567810 0.84 RXFP1 (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL30708635 0.82 ROCK2 (0.46) MEN1KMT2AKDRPARP1
SCHEMBL7490151 0.81 BACE1 (0.42) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2572023 0.81 BACE1 (0.42) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2572027 0.81 BACE1 (0.42) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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-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