SCHEMBL25430317

SCHEMBL25430317

O=c1cc[nH]c2cc(-c3nccnc3Sc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.53
▸ TRPV1 Q8NER1 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ TRPA1 O75762 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ KIF11 P52732 2/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ MAP2K4 P45985 2/20 0.31
▸ MAPK6 Q16659 2/20 0.31
▸ MAPKAPK3 Q16644 1/20 0.31
▸ MAPKAPK5 Q8IW41 1/20 0.31

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
SCHEMBL25431622 0.85 HSD17B10 (0.51) HSD17B10TRPV1ALDH1A1DYRK1AMAPT
SCHEMBL25430344 0.85 TRPV1 (0.41) HSD17B10TRPV1DYRK1ATRPA1MAPT
SCHEMBL25429893 0.80 HSD17B10 (0.54) HSD17B10TRPV1ALDH1A1TRPA1
SCHEMBL25429595 0.77 TRPV1 (0.37) TRPV1EPHX2KIF11MAPK1
SCHEMBL25430647 0.76 HSD17B10 (0.55) HSD17B10TRPV1ALDH1A1DYRK1AMAPT
SCHEMBL25427626 0.75 HSD17B10 (0.51) HSD17B10TRPV1ALDH1A1TRPA1KIF11
SCHEMBL25954052 0.73 TRPV1 (0.37) TRPV1EPHX2GSK3BKIF11
SCHEMBL30544122 0.73 TRPV1 (0.37) TRPV1EPHX2GSK3BKIF11
SCHEMBL25974048 0.73 TRPV1 (0.37) TRPV1ALDH1A1MAPTCCNB2CDK1
SCHEMBL25428430 0.73 TRPV1 (0.36) TRPV1TRPA1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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