SCHEMBL28986000

SCHEMBL28986000

CCCCc1ccc(C(=O)NCc2c[nH]nc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.50
HDAC3 O15379 6/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
PLK1 P53350 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL28986005 0.97 TRPV1 (0.53) TRPV1HDAC3HDAC1HDAC2PLK1
SCHEMBL28985996 0.96 TRPV1 (0.52) TRPV1HDAC3HDAC1HDAC2PLK1
SCHEMBL28985995 0.96 TRPV1 (0.52) TRPV1HDAC3HDAC1HDAC2PLK1
SCHEMBL28986055 0.96 TRPV1 (0.52) TRPV1HDAC3HDAC1HDAC2PLK1
SCHEMBL28986036 0.93 HDAC3 (0.48) HDAC3HDAC1HDAC2TMEM97SIGMAR1
SCHEMBL28986044 0.89 TAOK1 (0.48) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL28986054 0.85 TRPV1 (0.47) TRPV1PLK1NPC1RAB9AMEN1
SCHEMBL28986038 0.85 TRPV1 (0.47) TRPV1MEN1KMT2ALMNA
SCHEMBL28986010 0.84 LMNA (0.50) NPC1RAB9AHTTLMNATP53
SCHEMBL28986037 0.83 RAB9A (0.58) NPC1RAB9AMEN1KMT2AHTT

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