SCHEMBL27374686

SCHEMBL27374686

NCc1cc(F)cc(Nc2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOS2 P35228 1/20 0.41
CYP2A6 P11509 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
AKT1 P31749 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
MEN1 O00255 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
METAP2 P50579 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
SCHEMBL31457046 1.00 KIF11 (0.46) KIF11GRM5KDM4ETAAR1NPC1
SCHEMBL21542305 0.84 KIF11 (0.56) KIF11GRM5KDM4ETAAR1NPC1
SCHEMBL27374825 0.81 LOXL2 (0.44) KDM4ETAAR1L3MBTL1KMT2ALOXL2
SCHEMBL31456993 0.81 LOXL2 (0.44) KDM4ETAAR1L3MBTL1KMT2ALOXL2
SCHEMBL27374802 0.81 HSD17B10 (0.43) KDM4ETAAR1NPC1RAB9AL3MBTL1
SCHEMBL31457034 0.81 HSD17B10 (0.43) KDM4ETAAR1NPC1RAB9AL3MBTL1
SCHEMBL27703418 0.78 CHRNB2 (0.52) KIF11GRM5KDM4ELMNA
SCHEMBL6088034 0.76 KDM4E (0.64) KIF11KDM4ETAAR1KMT2AGAA
SCHEMBL31456969 0.76 LOXL2 (0.48) TAAR1KMT2ALOXL2MEN1
SCHEMBL27374959 0.76 LOXL2 (0.48) TAAR1KMT2ALOXL2MEN1

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
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 WO disclosed