SCHEMBL11620162

SCHEMBL11620162

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RIN1 Q13671 1/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SLC2A1 P11166 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11620430 0.87 ALDH1A1 (0.47) MEN1KMT2AABL1POLBRIN1
SCHEMBL11624836 0.86 SLC2A1 (0.44) MEN1KMT2AALOX15KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11621332 0.85 SLC2A1 (0.46) MEN1KMT2AALOX15KDM4EALDH1A1
SCHEMBL11704518 0.80 MEN1 (0.42) MEN1KMT2AABL1POLBRIN1
SCHEMBL11621081 0.80 ALOX15 (0.58) MEN1KMT2AABL1POLBRIN1
SCHEMBL11622438 0.75 LMNA (0.61) MEN1KMT2AABL1POLBRIN1
SCHEMBL11620181 0.74 LMNA (0.46) MEN1KMT2AABL1POLBRIN1
SCHEMBL11617778 0.74 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1SLC2A1
SCHEMBL11623005 0.73 SLC2A1 (0.44) MEN1KMT2AKDM4EALDH1A1SLC2A1
SCHEMBL11169948 0.72 LMNA (0.46) MEN1KMT2AABL1POLBRIN1

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-RE29628-E ANTIULCER, SECRETOLYTICS, ANTITUSSIVE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-09 — — US disclosed
US-4006246-A ANTIULCER, SECRETOLYTIC, ANTITUSSIVE, STIMULANT BOEHRINGER INGELHEIM GMBH (DT) 1977-02-01 — — US disclosed
US-3950393-A ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 — — US disclosed
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