SCHEMBL20125337

SCHEMBL20125337

O=Cc1ccnc2cc(C3CCCC3)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 6/20 0.61
KDM5A P29375 5/20 0.61
NPY5R Q15761 2/20 0.38
KDM4C Q9H3R0 3/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
KDM4A O75164 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
MAPK14 Q16539 2/20 0.33
GCGR P47871 1/20 0.33
CSF1R P07333 1/20 0.33
DAO P14920 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL20125258 0.94 KDM5B (0.59) KDM5BKDM5ANPY5RKDM4CCCR1
SCHEMBL16150053 0.76 KDM5B (1.00) KDM5BKDM5AKDM4CKDM4A
SCHEMBL20125267 0.76 KDM5B (0.65) KDM5BKDM5ANPY5RKDM4CKDM4A
SCHEMBL5771571 0.72 KDM5A (0.55) KDM5BKDM5ANPY5RKDM4CCCNT1
SCHEMBL16149434 0.72 KDM5A (0.73) KDM5BKDM5AKDM4CCCNT1CDK9
SCHEMBL15652643 0.71 IKBKB (0.46) CCR1CCR5CCR8CCNT1CDK9
SCHEMBL16157369 0.70 KDM5B (1.00) KDM5BKDM5AKDM4CKDM4A
SCHEMBL20125363 0.69 KDM5B (0.60) KDM5BKDM5AKDM4CKDM4A
SCHEMBL20125439 0.69 KDM4C (0.75) KDM5BKDM5AKDM4C
SCHEMBL3957997 0.68 KDM5A (0.47) KDM5BKDM5ACCNT1CDK9CSF1R

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-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed