SCHEMBL11624476

SCHEMBL11624476

CC(=O)Nc1c(Br)cc(C)cc1CN(C)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ ACHE P22303 4/20 0.43
▸ BCHE P06276 3/20 0.43
▸ TSPO P30536 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NAMPT P43490 1/20 0.39

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
SCHEMBL11620572 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL11620129 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL11620226 0.82 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL11622461 0.80 KMT2A (0.48) MEN1KMT2AALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL11619273 0.76 HPGD (0.43) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL11620712 0.75 CARM1 (0.42) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL2917221 0.72 ALDH1A1 (0.61) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL11616005 0.71 ALDH1A1 (0.37) MEN1KMT2AALDH1A1LMNANPC1
Hydrochloric Acid SCHEMBL11626361 0.71 ALDH1A1 (0.37) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL11621243 0.69 RAB9A (0.36) MEN1KMT2AALDH1A1LMNANPC1

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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