SCHEMBL6607679

SCHEMBL6607679

CN(C)c1nc2cc([NH])ccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
HDAC6 Q9UBN7 2/20 0.37
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
RAB9A P51151 5/20 0.33
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 4/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL24463199 0.79 MCHR1 (0.40) MCHR1HDAC6KDM4EHSD17B10MAPT
SCHEMBL6604741 0.79 KDM4E (0.45) MCHR1HDAC6KDM4EHSD17B10MAPT
SCHEMBL12402264 0.79 MAPT (0.50) MCHR1HDAC6KDM4EHSD17B10MAPT
SCHEMBL14685203 0.74 SMN1; SMN2 (0.57) KDM4EHSD17B10MAPTSMN1; SMN2RAB9A
SCHEMBL32661807 0.73 CA12 (0.45) MCHR1HDAC6RAB9AALDH1A1NPC1
SCHEMBL13895118 0.67 MCHR1 (0.50) MCHR1KDM4EHSD17B10RAB9AALDH1A1
SCHEMBL5610646 0.66 SMN1; SMN2 (0.33) MCHR1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL24402332 0.62 CSNK2A2 (0.39) MCHR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL1374758 0.61 SMN1; SMN2 (0.53) KDM4EHSD17B10MAPTSMN1; SMN2RAB9A
SCHEMBL6599912 0.60 LMNA (0.37) MCHR1MAPTRAB9AALDH1A1NPC1

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-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