SCHEMBL9550305

SCHEMBL9550305

CC(C)(c1ccc(Oc2cccc3c2C(=O)NC3=O)cc1)c1ccc(Oc2cccc3c2C(=O)NC3=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ STK10 O94804 4/20 0.37
▸ SLK Q9H2G2 4/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ PARP1 P09874 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
SCHEMBL5506330 0.82 MAOA (0.51) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL16628857 0.81 MAOA (0.41) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL262473 0.79 GSK3B (0.50) KCNA5ALDH1A1KDM4EHPGDGAA
SCHEMBL11077691 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL427290 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL29674513 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL28812042 0.78 MAOA (0.59) HPGDMAOAMAOBSMN1; SMN2MEN1
SCHEMBL30830771 0.77 HTR2A (0.42) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL9768590 0.76 KDM4E (0.51) KCNA5ALDH1A1KDM4EHPGDGAA
SCHEMBL11908954 0.76 ADORA2A (0.49) ALDH1A1KDM4ELMNASMN1; SMN2MEN1

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-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 — — US disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 — — WO disclosed
Send feedback