SCHEMBL6867093

SCHEMBL6867093

CC(=O)c1ccc(NC(=S)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
MCHR1 Q99705 6/20 0.43
ADRA2A P08913 4/20 0.43
HRH1 P35367 3/20 0.43
HTR2B P41595 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6867086 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1GAAPKM
SCHEMBL6875557 0.91 MEN1 (0.56) MEN1KMT2AALDH1A1MCHR1ADRA2A
SCHEMBL6875563 0.91 MEN1 (0.56) MEN1KMT2AALDH1A1MCHR1ADRA2A
SCHEMBL6868208 0.91 MCHR1 (0.43) MEN1KMT2AALDH1A1GAAMCHR1
SCHEMBL6873818 0.91 EPHX1 (0.53) KMT2AALDH1A1GAAPKMMCHR1
SCHEMBL6873819 0.91 EPHX1 (0.53) KMT2AALDH1A1GAAPKMMCHR1
SCHEMBL6868212 0.91 MCHR1 (0.43) MEN1KMT2AALDH1A1GAAMCHR1
SCHEMBL6879588 0.90 NPC1 (0.57) MEN1KMT2AALDH1A1PKMMCHR1
SCHEMBL6879594 0.90 NPC1 (0.57) MEN1KMT2AALDH1A1PKMMCHR1
SCHEMBL6878840 0.89 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1GAAMCHR1

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed