SCHEMBL9434871

SCHEMBL9434871

COc1ccccc1C(=Cc1cccc([N+](=O)[O-])c1)C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
LMNA P02545 3/20 0.61
GLO1 Q04760 2/20 0.59
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSP90AA1 P07900 1/20 0.55
CCR6 P51684 1/20 0.55
TRPV1 Q8NER1 2/20 0.54
KMT2A Q03164 3/20 0.52
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NFE2L2 Q16236 2/20 0.47
FBP1 P09467 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 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
SCHEMBL9434867 1.00 MAPT (0.61) MAPTLMNAGLO1RAB9ASMN1; SMN2
SCHEMBL9433460 0.83 GLO1 (0.61) MAPTLMNAGLO1RAB9ASMN1; SMN2
SCHEMBL9433464 0.83 GLO1 (0.61) MAPTLMNAGLO1RAB9ASMN1; SMN2
SCHEMBL9434532 0.82 GLO1 (0.54) MAPTLMNAGLO1RAB9ASMN1; SMN2
SCHEMBL12486398 0.80 CYP1A2 (0.64) MAPTLMNAGLO1RAB9ASMN1; SMN2
SCHEMBL12486396 0.80 CYP1A2 (0.64) MAPTLMNAGLO1RAB9ASMN1; SMN2
SCHEMBL14306018 0.80 HSP90AA1 (0.79) MAPTLMNARAB9ASMN1; SMN2HSP90AA1
SCHEMBL9434126 0.78 GLO1 (0.57) MAPTLMNAGLO1RAB9ASMN1; SMN2
SCHEMBL9434206 0.77 GLO1 (0.56) MAPTLMNAGLO1RAB9ASMN1; SMN2
SCHEMBL9433532 0.77 GLO1 (0.56) MAPTLMNAGLO1RAB9ASMN1; 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 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