SCHEMBL13250568

SCHEMBL13250568

c1ccc(N(c2ccccc2)c2cnc(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 9/20 0.36
▸ NFE2L2 Q16236 9/20 0.36
▸ EGFR P00533 3/20 0.35
▸ CSF1R P07333 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE5A O76074 1/20 0.30

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
SCHEMBL13250573 0.86 KDM4E (0.34) KEAP1NFE2L2ALDH1A1KDM4EL3MBTL1
SCHEMBL13250594 0.82 L3MBTL1 (0.35) KEAP1NFE2L2ALDH1A1KDM4ECYP2D6
SCHEMBL13250595 0.81 PLAU (0.38) KEAP1NFE2L2ALDH1A1KDM4ECYP3A4
SCHEMBL10110902 0.74 ALDH1A1 (0.44) KEAP1NFE2L2ALDH1A1TDP1KDM4E
SCHEMBL12888139 0.72 ALDH1A1 (0.42) KEAP1NFE2L2ALDH1A1TDP1KDM4E
SCHEMBL707336 0.72 ALDH1A1 (0.42) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL4887896 0.70 ALDH1A1 (0.52) KEAP1NFE2L2ALDH1A1TDP1KDM4E
SCHEMBL8900055 0.69 EGFR (0.69) EGFRCSF1RL3MBTL1NPC1RAB9A
SCHEMBL16484702 0.69 PRKCZ (0.40) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL31098956 0.69 PLAU (0.47) ALDH1A1TDP1KDM4ECYP3A4MAPT

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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