SCHEMBL25428669

SCHEMBL25428669

O=c1cc[nH]c2cc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)ncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ EPHX2 P34913 2/20 0.40
▸ AURKA O14965 2/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ C1R P00736 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ TTBK1 Q5TCY1 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ TEAD1 P28347 1/20 0.36

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
SCHEMBL25429117 0.83 HSD17B10 (0.55) HSD17B10EPHX2CNR1TP53MAPT
SCHEMBL25432084 0.80 HSD17B10 (0.46) HSD17B10
SCHEMBL25954056 0.80 HSD17B10 (0.46) HSD17B10EPHX2TGFBR1TTBK1
SCHEMBL30544062 0.80 HSD17B10 (0.46) HSD17B10EPHX2TGFBR1TTBK1
SCHEMBL25430635 0.73 HSD17B10 (0.51) HSD17B10EPHX2
SCHEMBL5347641 0.71 ABL1 (0.62) HSD17B10ABL1BCRCYP1A2CYP3A4
SCHEMBL25379061 0.70 EGFR (0.48) HSD17B10ABL1BCRCYP1A2CYP3A4
SCHEMBL25952223 0.70 TEAD1 (0.41) AURKAAURKBTAS2R14TP53MAPT
SCHEMBL5344234 0.69 ABL1 (0.56) HSD17B10CNR1ABL1BCRCYP1A2
SCHEMBL25430373 0.68 EPHX2 (0.44) EPHX2AURKAAURKBCYP1A2TP53

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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