SCHEMBL25347296

SCHEMBL25347296

O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 5/20 0.60
POLB P06746 2/20 0.57
KLKB1 P03952 1/20 0.57
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 3/20 0.56
PLAU P00749 2/20 0.56
ALDH1A1 P00352 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
F2 P00734 1/20 0.56
F10 P00742 1/20 0.56
PLG P00747 1/20 0.56
PLAT P00750 1/20 0.56
KMT2A Q03164 4/20 0.55
ALOX15 P16050 1/20 0.54
MEN1 O00255 3/20 0.53
AURKA O14965 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 2/20 0.53

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
SCHEMBL4263585 0.96 P2RX1 (0.64) P2RX1POLBKLKB1MAPTSMN1; SMN2
SCHEMBL25350758 0.90 P2RX1 (0.74) P2RX1POLBMAPTSMN1; SMN2HTT
SCHEMBL25350049 0.89 MAPT (0.61) P2RX1POLBMAPTSMN1; SMN2HTT
SCHEMBL25348210 0.88 POLB (0.59) P2RX1POLBMAPTSMN1; SMN2HTT
SCHEMBL11932147 0.85 P2RX1 (0.80) P2RX1POLBMAPTSMN1; SMN2HTT
SCHEMBL29617509 0.85 P2RX1 (0.80) P2RX1POLBMAPTSMN1; SMN2HTT
SCHEMBL8564166 0.85 KMT2A (0.61) P2RX1POLBMAPTSMN1; SMN2HTT
SCHEMBL25350206 0.85 MAPT (0.63) P2RX1POLBMAPTSMN1; SMN2HTT
SCHEMBL25347834 0.85 MAPT (0.56) POLBMAPTSMN1; SMN2HTTPLAU
SCHEMBL25347962 0.85 MAPT (0.56) POLBMAPTSMN1; SMN2HTTPLAU

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-2023149548-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 WO disclosed