SCHEMBL9507245

SCHEMBL9507245

c1ccc(-n2c(-c3cccnc3)cc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 5/20 0.63
▸ KCNH2 Q12809 3/20 0.63
▸ CYP1A2 P05177 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ APP P05067 1/20 0.47
▸ HAO1 Q9UJM8 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP19A1 P11511 3/20 0.45
▸ CYP11B1 P15538 3/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ CYP17A1 P05093 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL12091794 0.91 AOC3 (0.52) AOC3KCNH2CYP1A2POLBCYP3A4
SCHEMBL12092463 0.86 AOC3 (0.52) AOC3KCNH2CYP1A2POLBCYP3A4
SCHEMBL12091866 0.86 KMO (0.56) AOC3KCNH2CYP1A2POLBCYP3A4
SCHEMBL1878805 0.84 HAO1 (0.58) AOC3KCNH2CYP2C9APPHAO1
SCHEMBL12091796 0.83 APP (0.53) AOC3KCNH2APPHAO1ALDH1A1
SCHEMBL22171609 0.80 ALDH1A1 (0.53) AOC3KCNH2APPHAO1ALDH1A1
SCHEMBL13425022 0.80 HAO1 (0.62) AOC3KCNH2CYP2C9APPHAO1
SCHEMBL19219061 0.80 AOC3 (0.54) AOC3KCNH2APPHAO1ALDH1A1
SCHEMBL29429079 0.80 CYP11B1 (0.46) AOC3KCNH2CYP1A2POLBCYP3A4
SCHEMBL28693222 0.80 CYP11B1 (0.46) AOC3KCNH2CYP1A2POLBCYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296873-B1 DIRECT POSITIVE DIMETHINE CYANINE DYES CONTAINING 1-ARYL-2-HETEROARYL INDOLE NUCLEUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-08 — — EP claimed
EP-0296873-A2 Direct positive dimethine cyanine dyes containing 1-aryl-2-heteroaryl indole nucleus E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-12-28 — — EP claimed
EP-0296873-B1 DIRECT POSITIVE DIMETHINE CYANINE DYES CONTAINING 1-ARYL-2-HETEROARYL INDOLE NUCLEUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-08 — — EP disclosed
US-5004812-A Phenyl-pyridyl-indole Intermediates For Desensitizing Dyes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-02 — — US disclosed
US-4927933-A PHOTOGRAPHIC FILMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-22 — — US disclosed
US-4839271-A SENSITIZERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-13 — — US disclosed
EP-0296873-A2 Direct positive dimethine cyanine dyes containing 1-aryl-2-heteroaryl indole nucleus E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-12-28 — — EP disclosed
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