SCHEMBL17622705

SCHEMBL17622705

COC[C@@H](C)Nc1ncnc(N2CCN(C)CC2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.44
▸ TP53 P04637 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HRH4 Q9H3N8 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 3/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 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
SCHEMBL17623259 0.86 TP53 (0.42) TP53MEN1KMT2AKDM4ENPC1
SCHEMBL17623034 0.86 TP53 (0.38) KDM1ATP53MEN1KMT2AKDM4E
SCHEMBL17622717 0.83 MAPT (0.49) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL1773880 0.83 HRH4 (0.43) TP53ACHEBACE1MEN1KMT2A
SCHEMBL17623049 0.77 ACACB (0.36) TP53MEN1KMT2AKDM4ENPC1
SCHEMBL1775125 0.76 HRH4 (0.47) ACHEBACE1MEN1KMT2AALDH1A1
SCHEMBL16091163 0.75 TP53 (0.45) TP53MEN1KMT2AKDM4ENPC1
SCHEMBL17623058 0.73 HRH4 (0.54) KDM1AKDM4EALDH1A1HRH4CYP1A2
SCHEMBL16091174 0.72 TP53 (0.43) TP53MEN1KMT2AKDM4ENPC1
SCHEMBL16090980 0.70 TP53 (0.42) KDM1ATP53MEN1KMT2AKDM4E

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
WO-2016044641-A2 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — WO disclosed
Send feedback