SCHEMBL8043528

SCHEMBL8043528

CC(C)(C)Nc1nc(-c2ccccn2)nnc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 12/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
PPP1CA P62136 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DCTPP1 Q9H773 1/20 0.40

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
SCHEMBL8032052 0.81 HIF1A (0.69) GRM5MEN1KMT2AHIF1ALMNA
SCHEMBL8651042 0.80 HIF1A (0.52) GRM5HIF1A
SCHEMBL8049554 0.80 HIF1A (0.66) GRM5HIF1ALMNAHTTSMN1; SMN2
SCHEMBL8043574 0.79 KDM4E (0.67) GRM5KMT2AHIF1ALMNAHTT
SCHEMBL2322004 0.70 NPC1 (0.69) GRM5RAB9AMEN1KMT2AHIF1A
SCHEMBL30821175 0.67 GRM5 (1.00) GRM5RAB9AMEN1KMT2ALMNA
SCHEMBL28406354 0.67 CBFB (0.53) GRM5RAB9AMEN1KMT2AKDM4E
SCHEMBL18385896 0.67 NPC1 (0.57) GRM5RAB9ALMNAHTTSMN1; SMN2
SCHEMBL8045470 0.66 NPC1 (0.47) GRM5RAB9AMEN1KMT2AHIF1A
SCHEMBL25418630 0.64 CYP1A2 (0.43) GRM5RAB9AKMT2ALMNAHTT

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
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US claimed
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US disclosed