SCHEMBL7410799

SCHEMBL7410799

O=C(Nc1ccccc1)C1CN(c2ccccc2)C(=O)c2[nH]c3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL7414405 0.86 KCNH2 (0.39) KMT2AGAAMAPKAPK2TDP1SMN1; SMN2
SCHEMBL7406913 0.78 KDM4E (0.43) KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL7415419 0.74 KDM4E (0.41) LMNAGAAMAPKAPK2ALDH1A1
SCHEMBL998068 0.63 ALDH1A1 (0.60) KMT2ALMNAGAAMAPTNPSR1
SCHEMBL9734334 0.63 NPC1 (0.42) CA12CA1CA2CA4CA6
SCHEMBL16208261 0.62 DDB1 (0.52) DDB1CRBNKMT2ALMNAGAA
SCHEMBL5843116 0.61 CA12 (0.72) ROCK2ROCK1CA12CA1CA2
Carbazole SCHEMBL28283104 0.60 KMT2A (0.73) ADORA3KMT2ALMNAGAAMAPT
SCHEMBL6203393 0.60 DDB1 (0.64) DDB1CRBNKMT2AGAAMAPT
SCHEMBL10742560 0.59 CYP1A2 (0.68) DDB1CRBNKMT2ALMNAGAA

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-0934319-B1 1H-PYRIDO[3,4-b]INDOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI SYNTHELABO (FR) 2002-06-05 EP disclosed
US-6075021-A 1H-pyrido[3,4-b]indole-4-carboxamide derivatives, preparation and application thereof in therapeutics SYNTHELABO (FR) 2000-06-13 US disclosed