SCHEMBL29436308

SCHEMBL29436308

CC(C)(Oc1cccc(N)c1)Oc1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ TP53 P04637 1/20 0.53
▸ MAOB P27338 2/20 0.52
▸ CASP1 P29466 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ APP P05067 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NLRP1 Q9C000 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL2027752 1.00 ALDH1A1 (0.59) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL1805630 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL12024590 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL15458085 0.80 CYP3A4 (0.56) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL15457963 0.80 CYP3A4 (0.56) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL2229241 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL29366090 0.78 CYP3A4 (0.54) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL1523 0.78 CYP3A4 (0.54) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL15271467 0.77 CYP3A4 (0.48) ALDH1A1CYP3A4TP53MAOBCASP1
SCHEMBL2668319 0.77 PPARA (0.54) ALDH1A1CYP3A4TP53MAOBTSHR

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
CN-112831071-B Method for preparing polyimide film from polyamide acid slurry 武汉柔显科技股份有限公司 2023-01-17 — — CN claimed
CN-114174422-A Resin composition, semiconductor sealing material using same, and dipping base material, circuit board, build-up film, prepreg, carbon fiber composite material, solder resist, dry film, and printed wiring board DIC株式会社 2022-03-11 — — CN disclosed
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