SCHEMBL11619260

SCHEMBL11619260

CCN(CC)Cc1cc(Br)cc(CN(CC)CC)c1NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ BCHE P06276 4/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL11619408 0.91 ALDH1A1 (0.43) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL11620053 0.83 ALDH1A1 (0.39) POLBALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11622252 0.82 ALDH1A1 (0.39) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL11620240 0.81 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTHTT
Hydrochloric Acid SCHEMBL11619273 0.81 HPGD (0.43) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL11624619 0.80 ALOX15 (0.46) POLBALDH1A1MAPTKDM4EMAPK1
SCHEMBL11619423 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL11622953 0.76 MEP1B (0.40) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL11622343 0.75 ALDH1A1 (0.41) POLBALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11619296 0.75 POLB (0.41) POLBALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4101671-A ANTIULCEROGENICS BOEHRINGER INGELHEIM GMBH (DE) 1978-07-18 — — US disclosed
US-RE29628-E ANTIULCER, SECRETOLYTICS, ANTITUSSIVE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-09 — — US disclosed
US-3950393-A ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 — — US disclosed
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