SCHEMBL3640490

SCHEMBL3640490

Clc1ccc(C2(Nc3nc(N4CCCC4)nc4ccccc34)CC2)cc1.Clc1ccc(C2(Nc3nc(N4CCCCC4)nc4ccccc34)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPK1 P28482 1/20 0.57
ATM Q13315 1/20 0.57
HTR2A P28223 2/20 0.52
KDM4E B2RXH2 8/20 0.51
GAA P10253 7/20 0.51
HPGD P15428 5/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALOX12 P18054 1/20 0.51
HSD17B10 Q99714 5/20 0.49
GLA P06280 5/20 0.49
TSHR P16473 3/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL3772973 1.00 L3MBTL1 (0.57) L3MBTL1POLBTDP1MAPK1ATM
Hydrochloric Acid SCHEMBL3639728 0.99 L3MBTL1 (0.56) L3MBTL1POLBTDP1MAPK1ATM
SCHEMBL3776217 0.99 L3MBTL1 (0.55) L3MBTL1POLBTDP1MAPK1ATM
Hydrochloric Acid SCHEMBL3638817 0.98 L3MBTL1 (0.54) L3MBTL1POLBTDP1MAPK1ATM
SCHEMBL3644628 0.92 KDM4E (0.56) L3MBTL1POLBTDP1MAPK1ATM
SCHEMBL3637860 0.91 KDM4E (0.55) L3MBTL1POLBTDP1KDM4EGAA
SCHEMBL3642953 0.89 HTR2A (0.53) L3MBTL1POLBTDP1HTR2AKDM4E
SCHEMBL3644630 0.88 KDM4E (0.55) L3MBTL1POLBTDP1MAPK1ATM
SCHEMBL3640920 0.80 MAPT (0.50) POLBMAPK1HTR2AKDM4EGAA
SCHEMBL3635656 0.79 HTR2A (0.52) HTR2AKDM4EGAAHPGDALDH1A1

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
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 WO disclosed