SCHEMBL11624836

SCHEMBL11624836

CCNc1c(Br)cc(C(C)=O)cc1CNC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MITF O75030 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35

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
Hydrochloric Acid SCHEMBL11621332 0.89 SLC2A1 (0.46) SLC2A1KDM4EALDH1A1PABPC1MEN1
SCHEMBL11620162 0.86 MEN1 (0.44) SLC2A1KDM4EALDH1A1PABPC1MEN1
SCHEMBL11617778 0.77 KDM4E (0.44) SLC2A1KDM4EALDH1A1PABPC1MEN1
SCHEMBL11623005 0.76 SLC2A1 (0.44) SLC2A1KDM4EALDH1A1PABPC1MEN1
SCHEMBL11617134 0.73 ALOX15 (0.49) SLC2A1KDM4EALDH1A1PABPC1MEN1
SCHEMBL11620430 0.73 ALDH1A1 (0.47) SLC2A1KDM4EALDH1A1PABPC1MEN1
Hydrochloric Acid SCHEMBL11634324 0.72 SLC2A1 (0.46) SLC2A1KDM4EALDH1A1PABPC1MEN1
SCHEMBL11621127 0.71 LMNA (0.68) SLC2A1KDM4EALDH1A1PABPC1MEN1
SCHEMBL11619594 0.71 SLC2A1 (0.51) SLC2A1KDM4EALDH1A1PABPC1MEN1
SCHEMBL6629100 0.69 KDM4E (0.51) SLC2A1KDM4EALDH1A1PABPC1MEN1

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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