SCHEMBL30195085

SCHEMBL30195085

C=Cc1ccc(-c2ccc3c(c2)c2cc(Br)ccc2n3-c2ccc(C=C)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.32
DNM1 Q05193 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CG P48736 1/20 0.31
KRAS P01116 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
SCHEMBL22269676 1.00 ALDH1A1 (0.32) ALDH1A1MAPTDNM1SMN1; SMN2PIK3CG
SCHEMBL22237642 1.00 ALDH1A1 (0.32) ALDH1A1MAPTDNM1SMN1; SMN2PIK3CG
SCHEMBL23358443 0.93 MAPKAPK2 (0.33) ALDH1A1
SCHEMBL30194724 0.93 MAPKAPK2 (0.33) ALDH1A1
SCHEMBL30194709 0.93 L3MBTL1 (0.38) ALDH1A1MAPTDNM1KRAS
SCHEMBL18921870 0.93 L3MBTL1 (0.38) ALDH1A1MAPTDNM1KRAS
SCHEMBL648088 0.92 ALDH1A1 (0.38) ALDH1A1MAPTDNM1SMN1; SMN2KRAS
SCHEMBL17530416 0.91 ALDH1A1 (0.39) ALDH1A1PIK3CG
SCHEMBL28280788 0.89 KDM4E (0.40) ALDH1A1MAPTDNM1KRAS
SCHEMBL28280791 0.89 KDM4E (0.40) ALDH1A1MAPTDNM1KRAS

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
CN-111247651-B Organic light emitting device 株式会社LG化学 2023-02-17 CN disclosed