SCHEMBL28985371

SCHEMBL28985371

Oc1ccn(-c2cccc3ccccc23)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 4/20 0.49
NOTUM Q6P988 1/20 0.46
HTR2C P28335 1/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.40
ALOX15 P16050 2/20 0.40
CASP1 P29466 2/20 0.40
APAF1 O14727 1/20 0.40
TP53 P04637 1/20 0.40
CASP7 P55210 1/20 0.40
POLB P06746 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39

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
SCHEMBL27596510 0.81 NPC1 (0.58) NPC1MAPK1ALDH1A1NOTUMHTR2C
SCHEMBL28475929 0.79 MAPT (0.55) NPC1MAPK1ALDH1A1NOTUMHTR2C
SCHEMBL8297949 0.77 NPC1 (0.49) NPC1MAPK1ALDH1A1NOTUMHTR2C
SCHEMBL15064490 0.76 NPC1 (0.51) NPC1MAPK1ALDH1A1NOTUMHTR2C
SCHEMBL30987383 0.76 NPC1 (0.51) NPC1MAPK1ALDH1A1NOTUMCYP1A2
SCHEMBL27449315 0.76 NPC1 (0.47) NPC1MAPK1ALDH1A1NOTUMHTR2C
SCHEMBL3391811 0.76 NPC1 (0.47) NPC1MAPK1ALDH1A1NOTUMHTR2C
SCHEMBL9394244 0.75 NPC1 (0.50) NPC1MAPK1ALDH1A1NOTUMHTR2C
SCHEMBL15352629 0.74 MGLL (0.37) NPC1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL15352278 0.74 NOTUM (0.44) ALDH1A1NOTUMCYP1A2KDM4EMEN1

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-115819348-B Process for preparing N-aryl pyrazole compound 曲靖师范学院 2025-03-21 CN disclosed
CN-115819348-A Process for preparing N-arylpyrazole compound 曲靖师范学院 2023-03-21 CN disclosed