SCHEMBL25431622

SCHEMBL25431622

O=c1cc[nH]c2cc(-c3cccnc3Sc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.51
▸ TRPV1 Q8NER1 5/20 0.40
▸ DYRK1A Q13627 1/20 0.38
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ TOP1 P11387 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ MAP3K11 Q16584 1/20 0.33
▸ ASH1L Q9NR48 1/20 0.33
▸ GRM5 P41594 1/20 0.32

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
SCHEMBL25430317 0.85 HSD17B10 (0.53) HSD17B10TRPV1DYRK1ACCNB2CDK1
SCHEMBL25430647 0.83 HSD17B10 (0.55) HSD17B10TRPV1DYRK1AALDH1A1EPHX2
SCHEMBL25429394 0.80 HSD17B10 (0.52) HSD17B10TRPV1
SCHEMBL25430635 0.80 HSD17B10 (0.51) HSD17B10TRPV1EPHX2
SCHEMBL25427626 0.73 HSD17B10 (0.51) HSD17B10TRPV1ALDH1A1KIF11
SCHEMBL25429117 0.72 HSD17B10 (0.55) HSD17B10TRPV1ALDH1A1EPHX2MAPT
SCHEMBL25429720 0.72 HSD17B10 (0.55) HSD17B10TRPV1ALDH1A1EPHX2
SCHEMBL25432084 0.72 HSD17B10 (0.46) HSD17B10DYRK1AGRM5
SCHEMBL25374988 0.71 ADORA2A (0.44) DYRK1AALDH1A1KIF11DRD1TOP1
SCHEMBL25340452 0.70 TOP1 (0.38) TRPV1ALDH1A1KIF11TOP1GRM5

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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