SCHEMBL1568230

SCHEMBL1568230

NC(=O)c1ccnc(CCCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 4/20 0.46
▸ KDM5C P41229 3/20 0.46
▸ KDM4A O75164 2/20 0.46
▸ KDM4B O94953 1/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ OPRK1 P41145 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ FAAH O00519 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PLA2G10 O15496 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ KDM5A P29375 3/20 0.42
▸ KDM4C Q9H3R0 2/20 0.42

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
SCHEMBL1568234 0.91 NR3C2 (0.51) KDM5BKDM5CKDM4AKDM4BNR3C2
SCHEMBL1569193 0.83 BRD4 (0.55) KDM5BKDM5CKDM4AKDM4BNR3C2
SCHEMBL16115747 0.81 KDM4E (0.49) KDM5BKDM5CKDM4AKDM4BLMNA
SCHEMBL3634347 0.80 KDM4E (0.59) KDM5BKDM5CKDM4AKDM4BLMNA
SCHEMBL3630367 0.79 KDM4E (0.58) KDM5BKDM5CKDM4BKCNH2LMNA
SCHEMBL27542831 0.78 KDM4C (0.63) KDM5BKDM5CKDM4AKDM4BNR3C2
SCHEMBL5147899 0.78 TSHR (0.51) KDM5BKDM5CKDM4AKDM4BLMNA
SCHEMBL29038570 0.78 LMNA (0.56) KDM5BKDM5COPRK1KCNH2LMNA
SCHEMBL29038561 0.78 LMNA (0.56) KDM5BKDM5COPRK1KCNH2LMNA
Hydrochloric Acid SCHEMBL30523486 0.77 KDM4C (0.61) KDM5BKDM5CKDM4AKDM4BNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307379-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 — — EP disclosed
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