SCHEMBL17604585

SCHEMBL17604585

CC(Cc1ccccc1)c1nc(-c2cc(-c3c[nH]nn3)ccn2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHF8 Q9UPP1 2/20 0.41
▸ KDM2B Q8NHM5 2/20 0.41
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4C Q9H3R0 4/20 0.33
▸ MAOA P21397 3/20 0.33
▸ MAOB P27338 3/20 0.33
▸ NISCH Q9Y2I1 3/20 0.33
▸ KDM5A P29375 3/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ CLK2 P49760 2/20 0.32
▸ CLK3 P49761 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ PRKCI P41743 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ BRS3 P32247 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ ROCK2 O75116 1/20 0.31

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
SCHEMBL16103133 0.78 KDM4C (0.56) KDM4CKDM5AKDM5B
SCHEMBL17604583 0.77 PHF8 (0.68) PHF8KDM2BKDM4CKDM5AKDM5B
SCHEMBL4822648 0.76 MAOA (0.41) MAOAMAOBNISCHBRS3
SCHEMBL17604547 0.69 PHF8 (0.66) PHF8KDM2BKDM4CKDM5AKDM5B
SCHEMBL12011588 0.66 NPC1 (0.44) CYP1A2CYP3A4CYP2C9
SCHEMBL16095231 0.66 KDM4C (0.58) PHF8KDM2BKDM4CKDM5AKDM5B
SCHEMBL12011581 0.66 CYP11B2 (0.49) —
SCHEMBL12011584 0.65 SMN1; SMN2 (0.44) ROCK2
SCHEMBL19358820 0.65 KDM5A (0.36) PHF8KDM2BKDM4CKDM5AKDM5B
SCHEMBL17604606 0.65 KDM5A (0.61) PHF8KDM2BCYP2C9CYP2C19KDM4C

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
EP-3193881-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016044342-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 — — WO disclosed
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