SCHEMBL6604741

SCHEMBL6604741

CN(C)c1nc2cc(N)ccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 3/20 0.45
HSD17B10 Q99714 3/20 0.45
NPC1 O15118 3/20 0.45
GFER P55789 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
RAD52 P43351 1/20 0.44
NSD2 O96028 1/20 0.42
BRPF1 P55201 2/20 0.41
PRKCI P41743 1/20 0.41
MCHR1 Q99705 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL6592993 0.86 MCHR1 (0.39) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL24463199 0.79 MCHR1 (0.40) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL12402264 0.79 MAPT (0.50) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL6607679 0.79 MCHR1 (0.40) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL6233721 0.78 KDM4E (0.44) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL2734327 0.78 KDM4E (0.52) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL297992 0.77 KDM4E (0.60) KDM4EALDH1A1MAPTHTTHSD17B10
Hydrochloric Acid SCHEMBL6623126 0.77 KDM4E (0.51) KDM4EALDH1A1MAPTHTTHSD17B10
Hydrochloric Acid SCHEMBL16633753 0.75 KDM4E (0.63) KDM4EALDH1A1MAPTHTTHSD17B10
SCHEMBL6230772 0.75 SMN1; SMN2 (0.58) KDM4EALDH1A1MAPTHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007088277-A1 TRICYCLIC Ν-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-09 WO disclosed
EP-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed