SCHEMBL27508370

SCHEMBL27508370

O=C(O)Nc1ccccc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ATM Q13315 1/20 0.44
KDM4A O75164 2/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
CDK4 P11802 1/20 0.43
CCND2 P30279 1/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL28555588 0.87 KDR (0.57) KDM4APOLBNPC1RAB9AKDM4B
SCHEMBL10772697 0.86 HDAC3 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ADRA1D
SCHEMBL16702338 0.84 ATR (0.52) KDM4CMAPT
SCHEMBL28555585 0.82 CETP (0.51) KDM4ELMNAPOLBMAPTALDH1A1
SCHEMBL29112640 0.81 NTRK1 (0.45) KDM4EKDM4AKDM6BKDM5CKDM4C
SCHEMBL17144825 0.77 KDM4E (0.54) ADRA1DADRA1AADRA1BKDM4EATM
SCHEMBL6019227 0.77 HPGD (0.60) CYP1A2LMNANPC1RAB9AMAPT
SCHEMBL27083586 0.77 JAK1 (0.43) KDM4EKDM4AKDM6BKDM5CKDM4C
SCHEMBL6020308 0.76 MAPK1 (0.66) LMNAPOLBNPC1RAB9AALDH1A1
SCHEMBL6019359 0.76 RAB9A (0.54) KDM4EPOLBNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1152015-C Piperazine devivatives and process for preparation thereof ������ҩ��ʽ���� 2004-06-02 CN disclosed
CN-1196724-A Novel piperazine derivative and process for producing the same SAMJIN PHARM CO LTD (KR) 1998-10-21 CN disclosed