SCHEMBL21089290

SCHEMBL21089290

Nc1ncc(CNC2CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
GRIN2B Q13224 2/20 0.38
POLB P06746 1/20 0.38
MAP4K4 O95819 2/20 0.37
CCNT1 O60563 1/20 0.37
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
CXCR4 P61073 1/20 0.35
LMNA P02545 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
SCHEMBL2644041 0.79 MEN1 (0.46) MEN1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL17501350 0.76 MALT1 (0.39) MEN1RAB9AKMT2AKDM1AMAOA
SCHEMBL3217424 0.72 KDM1A (0.57) MEN1RAB9AKMT2AKDM1AMAOA
SCHEMBL26944359 0.72 KDM4E (0.49) MEN1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL31172011 0.72 KDM1A (0.57) MEN1RAB9AKMT2AKDM1AMAOA
SCHEMBL11936117 0.71 MEN1 (0.58) MEN1RAB9AKMT2AHRH3GRIN2B
SCHEMBL10073807 0.71 MEN1 (0.69) MEN1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL12953631 0.70 POLB (0.37) KDM1AMAOAMAOBPOLBLMNA
SCHEMBL13305056 0.70 KDM4E (0.39) KDM4EPOLBLMNA
SCHEMBL2644039 0.70 VNN1 (0.53) MEN1RAB9AKMT2AALDH1A1KDM4E

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-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed