SCHEMBL23252363

SCHEMBL23252363

C=CCn1c(=C)c2ccc(Br)c3cccc(c1=O)c32

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ POLB P06746 2/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ KMT2A Q03164 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ APOBEC3G Q9HC16 2/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ CYP1B1 Q16678 5/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 2/20 0.34

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
SCHEMBL23396287 0.74 CYP1B1 (0.42) ALDH1A1POLBRXFP1KMT2AKDM4E
SCHEMBL9778174 0.74 CYP3A4 (0.50) ALDH1A1POLBKMT2AHSD17B10CASP1
SCHEMBL4596137 0.70 ALDH1A1 (1.00) ALDH1A1POLBRXFP1KMT2AKDM4E
SCHEMBL19455723 0.69 AHR (0.35) ALDH1A1HSD17B10TDP1L3MBTL1HPGD
Hydrochloric Acid SCHEMBL29265515 0.69 ALDH1A1 (0.97) ALDH1A1POLBRXFP1KMT2AKDM4E
SCHEMBL6027390 0.66 TDP1 (0.60) ALDH1A1POLBRXFP1KMT2AKDM4E
SCHEMBL29406732 0.66 CYP1A2 (0.45) ALDH1A1POLBRXFP1KMT2AHSD17B10
SCHEMBL2679177 0.66 CYP1A2 (0.45) ALDH1A1POLBRXFP1KMT2AHSD17B10
SCHEMBL29405395 0.66 CYP1A2 (0.45) ALDH1A1POLBRXFP1KMT2AHSD17B10
SCHEMBL3575204 0.66 CYP1A2 (0.45) ALDH1A1POLBRXFP1KMT2AHSD17B10

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-10982137-B1 Fluorescent dispersed particle gel, fluorescent gel and fluorescent modified polyacrylamide composite and preparation method and use thereof CHINA UNIVERSITY OF PETROLEUM (EAST CHINA) (CN) 2021-04-20 — — US disclosed
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