SCHEMBL25430373

SCHEMBL25430373

O=c1c(F)c[nH]c2cc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.44
▸ TP53 P04637 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ AKR1C3 P42330 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ STING1 Q86WV6 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ AURKA O14965 2/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ ACLY P53396 1/20 0.35

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) EPHX2TP53MAPTAKR1C3ALDH1A1
SCHEMBL25972998 0.70 EPHX2 (0.43) EPHX2TP53MAPTAKR1C3MEN1
SCHEMBL16481432 0.70 KIF11 (0.52) TP53MAPTAKR1C3MEN1ALDH1A1
SCHEMBL30544095 0.70 EPHX2 (0.47) EPHX2TP53MAPTAKR1C3TRPV1
SCHEMBL25429357 0.70 TP53 (0.42) EPHX2TP53MAPTAKR1C3TRPV1
SCHEMBL25340011 0.70 EPHX2 (0.47) EPHX2TP53MAPTAKR1C3TRPV1
SCHEMBL25973157 0.69 NTRK1 (0.50) EPHX2TP53MAPTAKR1C3MEN1
SCHEMBL25377311 0.69 S1PR1 (0.45) EPHX2
SCHEMBL30519396 0.69 KIF11 (0.62) EPHX2TP53MAPTAKR1C3MEN1
SCHEMBL25430825 0.69 TP53 (0.45) EPHX2TP53MAPTAKR1C3MEN1

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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