SCHEMBL31222093

SCHEMBL31222093

Cc1nn(-c2nccs2)cc1C(=O)Nc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NAMPT P43490 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
RIPK1 Q13546 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL31222079 0.89 ALDH1A1 (0.51) NPC1RAB9ALMNARXFP1KMT2A
SCHEMBL31222127 0.88 ALDH1A1 (0.47) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL31222126 0.88 RAB9A (0.50) KDM1ARCOR1NPC1RAB9ALMNA
SCHEMBL31222075 0.87 KDM1A (0.44) KDM1ARCOR1NPC1RAB9ALMNA
SCHEMBL31222100 0.83 KDM5B (0.47) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL31222109 0.83 LMNA (0.48) NPC1RAB9ALMNARXFP1HTT
SCHEMBL31222086 0.83 RAB9A (0.44) NPC1RAB9ARXFP1HTTMAPT
SCHEMBL31222094 0.79 GAA (0.47) NPC1RAB9ALMNARXFP1KMT2A
SCHEMBL31222128 0.78 LMNA (0.50) NPC1RAB9ALMNARXFP1KMT2A
SCHEMBL31222080 0.78 RAB9A (0.46) NPC1RAB9ALMNAKMT2AMEN1

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
CN-118994136-A Pyrazole compound containing N1-heterocycle, and preparation method and application thereof 安阳师范学院 2024-11-22 CN disclosed