SCHEMBL10735119

SCHEMBL10735119

CCCCn1c(S[Sn](CCCC)(CCCC)CCCC)nc2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALDH1A1 P00352 6/20 0.53
▸ POLB P06746 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ PTK2B Q14289 1/20 0.52
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PDE5A O76074 1/20 0.48

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
SCHEMBL10739940 0.95 TDP1 (0.64) TDP1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL10739938 0.85 TDP1 (0.57) TDP1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL10744270 0.84 NPSR1 (0.53) TDP1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL18029436 0.83 TDP1 (0.63) TDP1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL10733969 0.83 PDE7A (0.63) SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL10742088 0.82 ALDH1A1 (0.44) TDP1SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL10739859 0.81 RORA (0.46) TDP1SMN1; SMN2ALDH1A1KDM4ECYP2C9
SCHEMBL10737433 0.81 TDP1 (0.64) TDP1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL10742659 0.80 TSHR (0.48) TDP1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL10736120 0.80 TDP1 (0.52) TDP1SMN1; SMN2ALDH1A1POLBMAPT

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
Send feedback