SCHEMBL2728050

SCHEMBL2728050

CN(C#N)C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL6969493 0.82 ALDH1A1 (0.35) HSD11B1ALDH1A1HPGDNPC1KMT2A
SCHEMBL14855363 0.81 HSD11B1 (0.48) HSD11B1POLBALDH1A1HPGDRAB9A
SCHEMBL6963781 0.80 HSD11B1 (0.31) HSD11B1ALDH1A1HPGDCTSLCTSS
SCHEMBL2861230 0.77 ENPP2 (0.42) ALDH1A1HPGDKDM4ETSHR
SCHEMBL9550362 0.76 CES2 (0.42) HSD11B1POLBALDH1A1HPGDCTSL
SCHEMBL9463888 0.76 NSD2 (0.36) POLBALDH1A1HPGDNPC1KMT2A
SCHEMBL28250962 0.75 POLB (0.43) HSD11B1POLBALDH1A1HPGDCTSL
SCHEMBL4039494 0.75 ALDH1A1 (0.58) HSD11B1ALDH1A1HPGDRAB9ANPC1
SCHEMBL30062 0.75 ALDH1A1 (0.58) HSD11B1ALDH1A1HPGDRAB9ANPC1
SCHEMBL2220361 0.75 ALDH1A1 (0.55) HSD11B1POLBALDH1A1HPGDRAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632915-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-09-04 EP disclosed
WO-2012058254-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 WO disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
EP-0087393-B1 PROCESS FOR THE PREPARATION OF ISOMELAMINES, AND THEIR USE CIBA-GEIGY AG (CH) 1987-01-14 EP disclosed
EP-0087394-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED N-CYANO-AMIDES AND THEIR USE CIBA-GEIGY AG (CH) 1986-05-14 EP disclosed
US-4550203-A REACTING AMIDE SALT WITH ALKYLATING AGENT CIBA GEIGY CORPORATION (US) 1985-10-29 US disclosed
US-4537946-A POLYEDOXIDE CURING AGENTS CIBA-GEIGY CORPORATION (US) 1985-08-27 US disclosed
US-4499268-A REACTING N-CYANO-N-(AR OR CYCLO)ALKYLCARBOXLIC AMINE WITH EITHER SODIUM(OR POTASSIUM) HYDROXIDE), AMINE, OR ALCOHOL CIBA GEIGY CORPORATION (US) 1985-02-12 US disclosed
EP-0087393-A2 Process for the preparation of isomelamines, and their use CIBA-GEIGY AG (CH) 1983-08-31 EP disclosed
EP-0087394-A2 Process for the preparation of N-substituted N-cyano-amides and their use CIBA-GEIGY AG (CH) 1983-08-31 EP disclosed