SCHEMBL6180396

SCHEMBL6180396

O=C(Nc1ccc(Oc2cccc3c2CCC3=O)nc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.45
GRM7 Q14831 1/20 0.45
GRM4 Q14833 1/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
CES1 P23141 1/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
TP53 P04637 2/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 2/20 0.42
HTR2A P28223 1/20 0.42
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6178792 0.86 KCNQ3 (0.49) GRM8GRM7GRM4MEN1KMT2A
SCHEMBL6177903 0.84 KCNQ3 (0.52) MEN1KMT2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL6179651 0.83 KCNQ3 (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6176251 0.81 NPC1 (0.47) GRM8GRM7GRM4MEN1KMT2A
SCHEMBL6178259 0.79 KCNQ3 (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6180980 0.77 NPC1 (0.45) CES1NPC1RAB9AGAA
SCHEMBL6179205 0.77 RAB9A (0.57) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL6181815 0.76 CDK8 (0.46) GRM8GRM7GRM4MEN1KMT2A
SCHEMBL6178924 0.76 RAB9A (0.46) GRM8GRM7GRM4MEN1KMT2A
SCHEMBL6181402 0.74 MAPT (0.49) MEN1KMT2AMAPTNPC1RAB9A

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-1066261-B1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 2005-11-23 EP disclosed
US-6511995-B1 Inhibits collagen synthesis, which is useful for prophylaxis or treatment of fibrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-01-28 US disclosed