SCHEMBL25377073

SCHEMBL25377073

Cn1cc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.45
▸ MAPT P10636 5/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ TEAD1 P28347 1/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ SOS1 Q07889 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CHRM3 P20309 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 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
SCHEMBL30482521 1.00 TP53 (0.45) TP53MAPTBRD4AKR1C3TEAD1
SCHEMBL30519396 0.77 KIF11 (0.62) TP53MAPTAKR1C3KIF11MEN1
SCHEMBL25977664 0.77 KIF11 (0.62) TP53MAPTAKR1C3KIF11MEN1
SCHEMBL16481432 0.76 KIF11 (0.52) TP53MAPTAKR1C3KIF11MEN1
SCHEMBL25429357 0.76 TP53 (0.42) TP53MAPTAKR1C3TEAD1YAP1
SCHEMBL30544076 0.75 GPR139 (0.38) TP53MAPTAKR1C3TEAD1YAP1
SCHEMBL25340693 0.75 GPR139 (0.38) TP53MAPTAKR1C3TEAD1YAP1
SCHEMBL25430365 0.74 PTGS2 (0.50) TP53MAPTKIF11MEN1HTT
SCHEMBL25431454 0.74 TP53 (0.46) TP53MAPTAKR1C3KIF11MEN1
SCHEMBL25429614 0.74 AKR1C3 (0.56) TP53MAPTAKR1C3MEN1HTT

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-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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