SCHEMBL30556440

SCHEMBL30556440

O=[N+]([O-])c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.55
▸ CYCS P99999 3/20 0.54
▸ CYP19A1 P11511 1/20 0.52
▸ ENPP2 Q13822 1/20 0.52
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ NPBWR1 P48145 2/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ FASN P49327 1/20 0.46
▸ TNKS O95271 1/20 0.46
▸ GUSB P08236 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ PARP2 Q9UGN5 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
SCHEMBL31154457 1.00 TOP1 (0.55) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL15134783 1.00 TOP1 (0.55) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL15134782 1.00 TOP1 (0.55) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL8355904 1.00 TOP1 (0.55) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL10587131 1.00 TOP1 (0.55) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL11327076 0.94 ENPP2 (0.57) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL29405657 0.94 ENPP2 (0.57) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL28565650 0.94 TOP1 (0.56) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL28566539 0.94 TOP1 (0.52) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL13249184 0.93 CYCS (0.56) TOP1CYCSCYP19A1ENPP2MMP2

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
CN-111693691-B Polymer label based on porphyrin structure 天津华科泰生物技术有限公司 2023-09-05 — — CN disclosed
Send feedback