SCHEMBL5513462

SCHEMBL5513462

CNc1cc(F)cc2c(N)cccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ PARP1 P09874 5/20 0.38
▸ KEAP1 Q14145 1/20 0.36
▸ NSD2 O96028 4/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CDC25B P30305 4/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ CDC25A P30304 1/20 0.35
▸ CDC25C P30307 1/20 0.35
▸ NR4A2 P43354 1/20 0.34

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
SCHEMBL5515919 0.83 IDO1 (0.42) ALDH1A1HPGDHSD17B10TDP1KEAP1
SCHEMBL785196 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5511733 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5507551 0.74 ALDH1A1 (0.35) ALDH1A1IKBKB
SCHEMBL27937848 0.73 CYP1A2 (0.41) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5508794 0.72 ALDH1A1 (0.34) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5513272 0.72 IDO1 (0.47) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5507509 0.70 ALDH1A1 (0.40) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5511093 0.69 PARP1 (0.31) PARP1
SCHEMBL5506968 0.69 CYP3A4 (0.39) ALDH1A1CYP3A4HPGDTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100478364-C Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2009-04-15 — — CN disclosed
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 — — US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 — — US disclosed
CN-1732189-A Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2006-02-08 — — CN disclosed
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