SCHEMBL30544076

SCHEMBL30544076

NCCn1nc2ccc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)cn2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 2/20 0.38
▸ TP53 P04637 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ SCN5A Q14524 3/20 0.34
▸ TEAD1 P28347 1/20 0.34
▸ YAP1 P46937 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL25340693 1.00 GPR139 (0.38) GPR139TP53MAPTAKR1C3EPHX2
SCHEMBL25955696 0.82 GPR139 (0.38) GPR139TP53
SCHEMBL30482521 0.75 TP53 (0.45) TP53MAPTAKR1C3TEAD1YAP1
SCHEMBL25377073 0.75 TP53 (0.45) TP53MAPTAKR1C3TEAD1YAP1
SCHEMBL20552265 0.73 ABCG2 (0.45) TP53MAPT
SCHEMBL16579450 0.71 GPR139 (0.44) GPR139PDE10ASCN5AHTR1ADRD2
SCHEMBL25339701 0.70 TEAD1 (0.40) TP53MAPTAKR1C3EPHX2TEAD1
SCHEMBL30544052 0.70 TEAD1 (0.40) TP53MAPTAKR1C3EPHX2TEAD1
SCHEMBL20552848 0.70 TAS2R14 (0.39) MAPTEPHX2HDAC1TEAD1YAP1
SCHEMBL20552285 0.69 ABCG2 (0.43) TP53MAPT

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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