SCHEMBL25429117

SCHEMBL25429117

O=c1cc[nH]c2cc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.55
▸ EPHX2 P34913 4/20 0.46
▸ TP53 P04637 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ AKR1C3 P42330 3/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ C1R P00736 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ACP1 P24666 1/20 0.37

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
SCHEMBL25430635 0.83 HSD17B10 (0.51) HSD17B10EPHX2TRPV1
SCHEMBL25428669 0.83 HSD17B10 (0.47) HSD17B10EPHX2TP53MAPTAKR1C3
SCHEMBL25430373 0.83 EPHX2 (0.44) EPHX2TP53MAPTAKR1C3TRPV1
SCHEMBL25430647 0.78 HSD17B10 (0.55) HSD17B10EPHX2MAPTTRPV1ALDH1A1
SCHEMBL25429720 0.78 HSD17B10 (0.55) HSD17B10EPHX2TRPV1ALDH1A1
SCHEMBL25429357 0.76 TP53 (0.42) EPHX2TP53MAPTAKR1C3TRPV1
SCHEMBL9400251 0.73 HSD17B10 (1.00) HSD17B10MAPTALDH1A1
SCHEMBL25429394 0.73 HSD17B10 (0.52) HSD17B10TRPV1
SCHEMBL25431622 0.72 HSD17B10 (0.51) HSD17B10EPHX2MAPTTRPV1ALDH1A1
SCHEMBL16481432 0.72 KIF11 (0.52) TP53MAPTAKR1C3ALDH1A1ACP1

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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