SCHEMBL10733448

SCHEMBL10733448

CCCC[Sn](CCCC)(CCCC)Sc1nc2cc(Cl)ccc2c(=O)n1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CYP3A4 P08684 12/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PLA2G1B P04054 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10744270 0.89 NPSR1 (0.53) SMN1; SMN2NPSR1CYP3A4RXFP1TSHR
SCHEMBL10735118 0.83 ALDH1A1 (0.51) SMN1; SMN2NPSR1HSD17B10L3MBTL1
SCHEMBL10741723 0.76 CYP3A4 (0.50) SMN1; SMN2NPSR1CYP3A4RXFP1TSHR
SCHEMBL10737935 0.75 KMT2A (0.46) SMN1; SMN2NPSR1TSHR
SCHEMBL10739941 0.74 PLA2G1B (0.47) SMN1; SMN2NPSR1CYP3A4RXFP1PLA2G1B
SCHEMBL10739859 0.73 RORA (0.46) SMN1; SMN2NPSR1RXFP1HSD17B10
SCHEMBL10741313 0.73 NPSR1 (0.55) SMN1; SMN2NPSR1CYP3A4RXFP1HSD17B10
SCHEMBL10735119 0.71 TDP1 (0.57) SMN1; SMN2NPSR1CYP3A4RXFP1TSHR
SCHEMBL28097945 0.71 KDM4E (0.61) CYP3A4RXFP1EGFR
SCHEMBL10736059 0.71 PDE7A (0.50) SMN1; SMN2NPSR1L3MBTL1

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
US-4652558-A FUNGICIDES, INSECTICIDES CHEVRON RESEARCH COMPANY (US) 1987-03-24 — — US disclosed
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