SCHEMBL30544095

SCHEMBL30544095

Cn1oc2cc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.47
▸ AKR1C3 P42330 3/20 0.43
▸ TP53 P04637 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL25340011 1.00 EPHX2 (0.47) EPHX2AKR1C3TP53MAPTTRPV1
SCHEMBL25429357 0.77 TP53 (0.42) EPHX2AKR1C3TP53MAPTTRPV1
SCHEMBL30482521 0.74 TP53 (0.45) AKR1C3TP53MAPTACP1RAB9A
SCHEMBL25377073 0.74 TP53 (0.45) AKR1C3TP53MAPTACP1RAB9A
SCHEMBL25429117 0.72 HSD17B10 (0.55) EPHX2AKR1C3TP53MAPTTRPV1
SCHEMBL30519396 0.71 KIF11 (0.62) EPHX2AKR1C3TP53MAPTACP1
SCHEMBL25977664 0.71 KIF11 (0.62) EPHX2AKR1C3TP53MAPTACP1
SCHEMBL25339701 0.71 TEAD1 (0.40) EPHX2AKR1C3TP53MAPTACP1
SCHEMBL30544052 0.71 TEAD1 (0.40) EPHX2AKR1C3TP53MAPTACP1
SCHEMBL25977672 0.70 TP53 (0.43) EPHX2AKR1C3TP53MAPTACP1

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