SCHEMBL28985996

SCHEMBL28985996

CCCCCCCc1ccc(C(=O)NCc2c[nH]nc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.52
HDAC3 O15379 5/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
PLK1 P53350 3/20 0.47
PLK3 Q9H4B4 3/20 0.47
RARB P10826 4/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL28986055 1.00 TRPV1 (0.52) TRPV1HDAC3HDAC1HDAC2PLK1
SCHEMBL28985995 1.00 TRPV1 (0.52) TRPV1HDAC3HDAC1HDAC2PLK1
SCHEMBL28986005 0.99 TRPV1 (0.53) TRPV1HDAC3HDAC1HDAC2PLK1
SCHEMBL28986000 0.96 TRPV1 (0.50) TRPV1HDAC3HDAC1HDAC2PLK1
SCHEMBL28986036 0.91 HDAC3 (0.48) HDAC3HDAC1HDAC2PLK1
SCHEMBL28986054 0.90 TRPV1 (0.47) TRPV1PLK1PLK3RARBMEN1
SCHEMBL28986038 0.90 TRPV1 (0.47) TRPV1RARBMEN1ALDH1A1RARA
SCHEMBL28986043 0.88 TRPV1 (0.47) TRPV1HDAC3PLK1PLK3MAPT
SCHEMBL30317488 0.88 TRPV1 (0.47) TRPV1HDAC3PLK1PLK3MAPT
SCHEMBL30317652 0.88 TRPV1 (0.47) TRPV1HDAC3HDAC1HDAC2PLK1

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
CN-115960047-B 3-Phenyl-1H-pyrazole compound and application thereof 中国药科大学 2025-04-15 CN disclosed
CN-115960047-A 3-phenyl-1H-pyrazole compound and application thereof 中国药科大学 2023-04-14 CN disclosed