SCHEMBL13250595

SCHEMBL13250595

c1ccc(N(c2nccc3ccccc23)c2cnc(N(c3ccccc3)c3nccc4ccccc34)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ F12 P00748 1/20 0.38
▸ NCF1 P14598 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ CFTR P13569 1/20 0.35
▸ GOPC Q9HD26 1/20 0.35
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL13250582 0.88 PLAU (0.42) PLAUCYP2A6F12NCF1NOS3
SCHEMBL31098956 0.84 PLAU (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL16484700 0.84 PLAU (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL13250568 0.81 KEAP1 (0.36) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL13250580 0.80 PLAU (0.43) PLAUCYP2A6F12NCF1NOS3
SCHEMBL13321038 0.79 PLAU (0.38) PLAUCYP2A6F12NCF1NOS3
SCHEMBL13320976 0.78 PLAU (0.37) PLAUCYP2A6F12NCF1NOS3
SCHEMBL13320994 0.78 PLAU (0.37) PLAUCYP2A6F12NCF1NOS3
SCHEMBL13320991 0.78 PLAU (0.37) PLAUCYP2A6F12NCF1NOS3
SCHEMBL16144422 0.77 PLAU (0.36) PLAUCYP2A6F12NCF1NOS3

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-20100176377-A1 Polymeric compound and polymeric electroluminescence element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-15 — — US disclosed
US-20100176377-A1 Polymeric compound and polymeric electroluminescence element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-15 — — US disclosed
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