SCHEMBL23610328

SCHEMBL23610328

COc1ccc(N2CCCC2c2ccc(C#N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM1A O60341 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
FFAR1 O14842 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CCR6 P51684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPKAPK2 P49137 1/20 0.40

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
SCHEMBL27981273 0.85 ALDH1A1 (0.46) ALDH1A1GAAKDM4EHRH3
SCHEMBL4608728 0.84 GAA (0.53) ALDH1A1GAAL3MBTL1KDM4ETSHR
SCHEMBL27981270 0.82 CYP19A1 (0.42) ALDH1A1KDM1AKDM4ETSHRHRH3
SCHEMBL23623856 0.82 KDM4E (0.54) KDM4E
SCHEMBL23623855 0.82 CYP19A1 (0.44) ALDH1A1KDM4E
SCHEMBL27981597 0.78 HRH3 (0.43) ALDH1A1KDM4EHRH3
SCHEMBL11525435 0.74 KDM1A (0.49) ALDH1A1KDM1AHRH3CCR6
SCHEMBL11525429 0.74 KDM1A (0.49) ALDH1A1KDM1AHRH3CCR6
SCHEMBL13114854 0.72 AR (0.51)
SCHEMBL13651291 0.72 ALDH1A1 (0.51) ALDH1A1KDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12188139-B2 Alternating current electrolysis for use in organic synthesis WAYNE STATE UNIVERSITY (US) 2025-01-07 US disclosed
US-20230091947-A1 ALTERNATING CURRENT ELECTROLYSIS FOR USE IN ORGANIC SYNTHESIS WAYNE STATE UNIVERSITY (US) 2023-03-23 US disclosed
US-11499238-B2 Alternating current electrolysis for use in organic synthesis WAYNE STATE UNIVERSITY (US) 2022-11-15 US disclosed
US-20210207274-A1 ALTERNATING CURRENT ELECTROLYSIS FOR USE IN ORGANIC SYNTHESIS WAYNE STATE UNIVERSITY (US) 2021-07-08 US disclosed
US-20210207274-A1 ALTERNATING CURRENT ELECTROLYSIS FOR USE IN ORGANIC SYNTHESIS WAYNE STATE UNIVERSITY (US) 2021-07-08 US disclosed