SCHEMBL7796532

SCHEMBL7796532

Cc1ccc(OC(=O)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HGFAC Q04756 2/20 0.66
KMT2A Q03164 2/20 0.62
PKM P14618 1/20 0.62
MEN1 O00255 1/20 0.57
PRSS1 P07477 2/20 0.57
ACR P10323 2/20 0.57
NR1H4 Q96RI1 1/20 0.52
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.49
ACHE P22303 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 3/20 0.48
HPGD P15428 1/20 0.48
ALOX5 P09917 1/20 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
SCHEMBL5696807 0.92 KMT2A (0.72) HGFACKMT2APKMMEN1PRSS1
SCHEMBL2597339 0.92 KMT2A (0.72) HGFACKMT2APKMMEN1PRSS1
SCHEMBL295497 0.92 KMT2A (0.72) HGFACKMT2APKMMEN1PRSS1
SCHEMBL27489618 0.89 HGFAC (0.66) HGFACKMT2APKMMEN1PRSS1
SCHEMBL27462144 0.88 HGFAC (0.67) HGFACKMT2APKMMEN1PRSS1
SCHEMBL13552104 0.87 HGFAC (0.60) HGFACKMT2APKMMEN1NR1H4
SCHEMBL21396265 0.87 PRSS1 (0.71) HGFACKMT2AMEN1PRSS1ACR
SCHEMBL21185827 0.87 PRSS1 (0.71) HGFACKMT2AMEN1PRSS1ACR
SCHEMBL25500942 0.87 PRSS1 (0.71) HGFACKMT2AMEN1PRSS1ACR
SCHEMBL26237363 0.87 PRSS1 (0.71) HGFACKMT2AMEN1PRSS1ACR

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
EP-0748852-B1 Photocrosslinkable liquid crystalline dyestuffs ROLIC AG (CH) 2001-12-12 EP disclosed