SCHEMBL9298628

SCHEMBL9298628

O=C(O)C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.57
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CA1 P00915 2/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
VDR P11473 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CA12 O43570 2/20 0.46
CXCR2 P25025 1/20 0.46
MMP2 P08253 1/20 0.46

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
SCHEMBL9298632 1.00 ALOX12 (0.57) ALOX12HPGDL3MBTL1CA1MEN1
SCHEMBL7574185 0.94 HPGD (0.57) ALOX12HPGDL3MBTL1CA1MEN1
SCHEMBL11301777 0.85 CA12 (0.45) ALOX12L3MBTL1MEN1KMT2APOLB
SCHEMBL7582132 0.84 ALDH1A1 (0.57) L3MBTL1CA1MEN1KMT2ANPC1
SCHEMBL7584383 0.83 ALOX5 (0.50) ALOX12HPGDL3MBTL1CA1MEN1
SCHEMBL2483519 0.81 FPR2 (0.49) CA1POLBALDH1A1SMN1; SMN2CA12
SCHEMBL2483521 0.81 FPR2 (0.49) CA1POLBALDH1A1SMN1; SMN2CA12
SCHEMBL146704 0.81 FPR2 (0.49) CA1POLBALDH1A1SMN1; SMN2CA12
SCHEMBL8151157 0.80 ALOX12 (0.65) ALOX12HPGDL3MBTL1CA1MEN1
SCHEMBL28534876 0.79 FPR2 (0.47) CA1KMT2APOLBALDH1A1SMN1; SMN2

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
US-5374656-A Nervous system disorders, gastrointestinal disorders RHONE-POULENC RORER, S.A. (FR) 1994-12-20 US disclosed