SCHEMBL9860580

SCHEMBL9860580

COC(=O)c1nc(Cl)sc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 6/20 0.43
PKM P14618 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RCE1 Q9Y256 1/20 0.40
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
LMNA P02545 1/20 0.34
NOTUM Q6P988 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL16397410 0.82 NPSR1 (0.50) NPSR1ALDH1A1KDM4EPKML3MBTL1
SCHEMBL18974159 0.82 NPSR1 (0.50) NPSR1ALDH1A1KDM4EPKML3MBTL1
SCHEMBL12228844 0.82 NPSR1 (0.50) NPSR1ALDH1A1KDM4EPKML3MBTL1
SCHEMBL30862551 0.81 NPSR1 (0.48) NPSR1ALDH1A1KDM4EPKML3MBTL1
SCHEMBL2474815 0.81 NPSR1 (0.48) NPSR1ALDH1A1KDM4EPKML3MBTL1
SCHEMBL11917066 0.81 NPSR1 (0.48) NPSR1ALDH1A1KDM4EPKML3MBTL1
SCHEMBL31539265 0.81 NPSR1 (0.48) NPSR1ALDH1A1KDM4EPKML3MBTL1
SCHEMBL3046694 0.81 KDM4E (0.59) NPSR1ALDH1A1KDM4EPKML3MBTL1
SCHEMBL26281746 0.81 NPSR1 (0.48) NPSR1ALDH1A1KDM4EPKML3MBTL1
SCHEMBL9860567 0.79 ALDH1A1 (0.36) NPSR1ALDH1A1KDM4EHPGDHSD17B10

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
CN-105209446-A GPR120 agonists for the treatment of type ii diabetes JANSSEN PHARMACEUTICA NV 2015-12-30 CN disclosed
US-5068343-A Fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed