SCHEMBL10744270

SCHEMBL10744270

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 6/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ LMNA P02545 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL10733448 0.89 SMN1; SMN2 (0.47) NPSR1SMN1; SMN2EGFRTSHRRXFP1
SCHEMBL10735118 0.87 ALDH1A1 (0.51) NPSR1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL10739859 0.84 RORA (0.46) NPSR1SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL10741313 0.84 NPSR1 (0.55) NPSR1SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL10735119 0.84 TDP1 (0.57) NPSR1SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL10739940 0.80 TDP1 (0.64) NPSR1SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL7635781 0.74 SMN1; SMN2 (0.47) NPSR1SMN1; SMN2ALDH1A1LMNAEGFR
SCHEMBL10737935 0.74 KMT2A (0.46) NPSR1SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL10828440 0.72 NPSR1 (0.45) NPSR1SMN1; SMN2ALDH1A1EGFRTSHR
SCHEMBL10739938 0.70 TDP1 (0.57) NPSR1SMN1; SMN2ALDH1A1CYP1A2CYP2C9

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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