SCHEMBL10741313

SCHEMBL10741313

CCCCn1c(S[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)nc2cc(Cl)ccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ EGFR P00533 1/20 0.47
▸ DPP4 P27487 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10739938 0.88 TDP1 (0.57) NPSR1SMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL10742041 0.85 SMN1; SMN2 (0.44) NPSR1SMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL10744270 0.84 NPSR1 (0.53) NPSR1SMN1; SMN2EGFRDPP4TDP1
SCHEMBL10737433 0.84 TDP1 (0.64) NPSR1SMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL10741723 0.83 CYP3A4 (0.50) NPSR1SMN1; SMN2EGFRTDP1CYP3A4
SCHEMBL10736269 0.82 SMN1; SMN2 (0.55) NPSR1SMN1; SMN2EGFRTDP1ALDH1A1
SCHEMBL10744234 0.78 PDE7A (0.49) SMN1; SMN2ALDH1A1
SCHEMBL10735119 0.74 TDP1 (0.57) NPSR1SMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL7635781 0.73 SMN1; SMN2 (0.47) NPSR1SMN1; SMN2EGFRDPP4ALDH1A1
SCHEMBL10733448 0.73 SMN1; SMN2 (0.47) NPSR1SMN1; SMN2EGFRCYP3A4HSD17B10

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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