SCHEMBL11842899

SCHEMBL11842899

CC(=O)Nc1c(CBr)cc(Br)cc1C(C)Br

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PTPRB P23467 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GPR35 Q9HC97 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL11620240 0.85 MEN1 (0.38) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL27899868 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDPTPRB
SCHEMBL11619402 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDPTPRB
SCHEMBL11842902 0.78 MEN1 (0.34) ALDH1A1MEN1KMT2AHPGDPTPRB
SCHEMBL11619260 0.69 POLB (0.42) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL11620053 0.68 ALDH1A1 (0.39) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL6354671 0.67 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTRAB9A
Hydrochloric Acid SCHEMBL11622252 0.67 ALDH1A1 (0.39) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL18398288 0.67 KCNJ11 (0.37) ALDH1A1MEN1KMT2AHPGDPTPRB
SCHEMBL1601877 0.65 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDPTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950393-A ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 — — US disclosed
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