SCHEMBL18324329

SCHEMBL18324329

Cc1ccc(Cn2ncc3nc(C)n(N)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 3/20 0.37

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
SCHEMBL12597504 0.69 HTT (0.46) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL145302 0.68 NPC1 (0.57) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL17458867 0.68 SMN1; SMN2 (0.51) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL5530473 0.66 RECQL (0.75) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL29459664 0.66 RECQL (0.75) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL13239079 0.66 HTT (0.46) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL16418007 0.65 BRD4 (0.48) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL10053484 0.64 LMNA (0.45) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL13239257 0.64 HTT (0.47) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL28667718 0.64 RECQL (0.49) HTTSMN1; SMN2ALDH1A1NPC1LMNA

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-2296659-B1 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2016-12-21 EP disclosed