SCHEMBL9434829

SCHEMBL9434829

CC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 9/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 2/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MITF O75030 1/20 0.46
FBP1 P09467 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL9434826 1.00 L3MBTL1 (0.56) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL9434339 0.84 GLO1 (0.63) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL9434342 0.84 GLO1 (0.63) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL5698531 0.79 AKR1C3 (0.49) L3MBTL1MAPTRAB9AALDH1A1MAPK1
SCHEMBL5698524 0.79 AKR1C3 (0.49) L3MBTL1MAPTRAB9AALDH1A1MAPK1
SCHEMBL5253681 0.79 AKR1C1 (0.55) MAPTALDH1A1MAPK1POLBMEN1
SCHEMBL5253679 0.79 AKR1C1 (0.55) MAPTALDH1A1MAPK1POLBMEN1
SCHEMBL9433771 0.77 RAB9A (0.62) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL9433640 0.77 RAB9A (0.62) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL5698449 0.77 MPO (0.53) MAPTRAB9ANPC1ALDH1A1MEN1

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed