SCHEMBL9292208

SCHEMBL9292208

CCCCc1ccccc1/N=C\c1ccccc1OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ HPGD P15428 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ MAPT P10636 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ LMNA P02545 2/20 0.38

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
SCHEMBL5529272 0.88 CYP2C9 (0.47) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL3000531 0.88 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL1876189 0.83 SMN1; SMN2 (0.48) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL11862057 0.80 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL15095589 0.79 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTALOX15
SCHEMBL11509995 0.78 KMT2A (0.52) CYP3A4CYP2D6CYP2C9ALDH1A1MAPT
SCHEMBL11312625 0.78 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL11873979 0.77 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9ALDH1A1KDM4E
SCHEMBL8991513 0.77 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL9656596 0.77 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5247009-A Reacted with an imine and an acid halide, tires NIPPON ZEON CO., LTD. (JP) 1993-09-21 — — US claimed
US-5312849-A Modified diene polymer, carbon black NIPPON ZEON CO., LTD. (JP) 1994-05-17 — — US disclosed
US-5247009-A Reacted with an imine and an acid halide, tires NIPPON ZEON CO., LTD. (JP) 1993-09-21 — — US disclosed
EP-0087963-B1 PHTHALONITRILE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Hitachi, Ltd. (JP) 1989-05-03 — — EP disclosed
EP-0198294-B1 METHOD FOR MODIFYING RUBBERS NIPPON ZEON CO., LTD. (JP) 1989-01-04 — — EP disclosed
US-4677153-A REACTING WITH AN ACYL HALIDE AND NIPPON ZEON CO., LTD. (JP) 1987-06-30 — — US disclosed
EP-0198294-A1 Method for modifying rubbers NIPPON ZEON CO., LTD. (JP) 1986-10-22 — — EP disclosed
US-4479885-A Phthalonitrile derivatives and a liquid crystal composition containing the same HITACHI, LTD. (JP) 1984-10-30 — — US disclosed
US-4279770-A Liquid crystal 2,3-dicyano-hydroquinone derivatives CHISSO CORPORATION (JP) 1981-07-21 — — US disclosed
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