SCHEMBL31456953

SCHEMBL31456953

NCc1cc(F)cc(Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
IDH2 P48735 2/20 0.46
RAPGEF4 Q8WZA2 1/20 0.44
MPO P05164 1/20 0.44
APP P05067 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ADORA2A P29274 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL27374863 1.00 KIF11 (0.48) KIF11MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL27375511 0.84 SOS1 (0.41) KIF11MAPTALDH1A1GAAL3MBTL1
SCHEMBL31456939 0.84 SOS1 (0.41) KIF11MAPTALDH1A1GAAL3MBTL1
SCHEMBL31457034 0.80 HSD17B10 (0.43) MAPTALDH1A1GAARAB9ALMNA
SCHEMBL27374802 0.80 HSD17B10 (0.43) MAPTALDH1A1GAARAB9ALMNA
SCHEMBL394991 0.78 KIF11 (0.70) KIF11MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL31456952 0.76 MEN1 (0.47) MAPTSMN1; SMN2GAARAPGEF4
SCHEMBL27375376 0.76 MEN1 (0.47) MAPTSMN1; SMN2GAARAPGEF4
SCHEMBL31456969 0.75 LOXL2 (0.48) MAPTALDH1A1SMN1; SMN2TAAR1
SCHEMBL27374959 0.75 LOXL2 (0.48) MAPTALDH1A1SMN1; SMN2TAAR1

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
EP-4567035-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2025-06-11 EP disclosed
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 CN disclosed