SCHEMBL20177495

SCHEMBL20177495

N[C@@H]1c2nc3ccccc3n2C[C@H]1c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
KDM1A O60341 5/20 0.39
KCNH2 Q12809 2/20 0.39
MAOB P27338 2/20 0.39
RCOR1 Q9UKL0 2/20 0.39
KDM1B Q8NB78 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
GRM2 Q14416 1/20 0.38
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL20177640 0.80 DPP4 (0.38) USP2KDM1AKDM4EKMT2AMEN1
SCHEMBL20177777 0.70 FPR2 (0.44) KMT2AMEN1MAPTHTTNPC1
SCHEMBL20177496 0.69 GRM2 (0.44) USP2KDM4EKMT2AMEN1MAPT
SCHEMBL20177639 0.69 GRM2 (0.44) USP2KDM4EKMT2AMEN1MAPT
SCHEMBL20177583 0.69 FPR1 (0.41) USP2KDM4EKMT2AMEN1MAPT
SCHEMBL28581918 0.64 USP2 (0.51) USP2KDM4EKMT2AMEN1HTT
SCHEMBL28587695 0.64 USP2 (0.51) USP2KDM4EKMT2AMEN1HTT
SCHEMBL3034589 0.64 HTT (0.41) USP2KCNH2KMT2AMEN1HTT
SCHEMBL20177536 0.60 KDM1A (0.40) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL29941288 0.59 ALDH1A1 (0.40) USP2KDM4EGRM2RECQLTSHR

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-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed