SCHEMBL31341202

SCHEMBL31341202

COc1ccc(C2CC(c3ccc(N)cc3)=NO2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.59
MIF P14174 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
MAOB P27338 2/20 0.47

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
SCHEMBL1258904 0.83 MEN1 (0.47) PTPN1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL3967975 0.82 MAOB (0.45) PTPN1MIFSMN1; SMN2MEN1ALDH1A1
SCHEMBL19244579 0.81 MAOB (0.47) MIFMAOB
SCHEMBL3968913 0.81 ATM (0.46) PTPN1KDM4EMEN1ALDH1A1LMNA
SCHEMBL31341315 0.80 LMNA (0.54) PTPN1MIFNPC1RAB9ASMN1; SMN2
SCHEMBL3970822 0.80 MAOB (0.45) PTPN1SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL31341198 0.79 KMT2A (0.58) PTPN1MIFNPC1RAB9AALDH1A1
SCHEMBL1257980 0.78 KIF11 (0.49) MIFMAOB
SCHEMBL8177977 0.78 MAOB (0.44) PTPN1SMN1; SMN2ALDH1A1MAOB
SCHEMBL3975119 0.76 MAOB (0.48) PTPN1MIFMAOB

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-2025048243-A1 NOVEL ISOXAZOLE COMPOUND AS TM4SF5-SPECIFIC INHIBITOR AND USE THEREOF 서울대학교산학협력단 2025-03-06 WO disclosed