SCHEMBL6918790

SCHEMBL6918790

CCn1nc(Cc2ccccc2)c(C(=O)c2cccnc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLOD2 O00469 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 4/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39
GRM2 Q14416 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
EPHX2 P34913 1/20 0.39
APP P05067 1/20 0.39
HCAR3 P49019 1/20 0.39

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
SCHEMBL6922174 0.87 MAPT (0.43) LMNAKMT2APLOD2HTTSMN1; SMN2
SCHEMBL6920087 0.86 LMNA (0.47) LMNAKMT2ATDP1PLOD2HTT
SCHEMBL6919541 0.84 HTT (0.41) LMNATDP1HTTKDM4EALDH1A1
SCHEMBL6919643 0.83 L3MBTL1 (0.46) LMNAKMT2AHTTSMN1; SMN2MEN1
SCHEMBL6919131 0.82 ALDH1A1 (0.40) KMT2AHTTSMN1; SMN2MEN1NPC1
SCHEMBL6922367 0.82 HTT (0.40) LMNATDP1PLOD2HTTRAB9A
SCHEMBL6921074 0.81 TBXAS1 (0.48) LMNAKMT2APLOD2HTTSMN1; SMN2
SCHEMBL6921278 0.80 TSHR (0.46) PLOD2HTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6920919 0.77 TBXAS1 (0.52) KMT2AHTTNPC1RAB9AKDM4E
SCHEMBL6922335 0.77 MAPT (0.41) HTTSMN1; SMN2NPC1RAB9AKDM4E

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
WO-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO claimed
WO-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed