SCHEMBL31222089

SCHEMBL31222089

CCc1nn(-c2nccs2)cc1C(=O)Nc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 6/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EPHB3 P54753 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 2/20 0.38
KCNH2 Q12809 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL31222117 0.89 LMNA (0.47) L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31222102 0.86 MEN1 (0.45) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL31222075 0.82 KDM1A (0.44) L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31222096 0.80 NR3C1 (0.49) NPC1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL31222082 0.80 NPC1 (0.38) L3MBTL1RAB9ANPC1ALDH1A1HPGD
SCHEMBL31222081 0.80 KCNMA1 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16636856 0.80 MAPT (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL31222121 0.79 HSD17B10 (0.39) RAB9ASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL31222083 0.79 SMN1; SMN2 (0.48) L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31222115 0.78 RAB9A (0.48) L3MBTL1RAB9ANPC1SMN1; SMN2ALDH1A1

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