SCHEMBL10739859

SCHEMBL10739859

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORA P35398 5/20 0.46
▸ RORC P51449 5/20 0.46
▸ RORB Q92753 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ CTSD P07339 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ NR1H2 P55055 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
SCHEMBL10742041 0.85 SMN1; SMN2 (0.44) RORARORCRORBALDH1A1CYP1A2
SCHEMBL10744270 0.84 NPSR1 (0.53) RORARORCRORBALDH1A1CYP1A2
SCHEMBL10737796 0.83 PDE7A (0.47) ALDH1A1SMN1; SMN2CTSDKCNH2HRH3
SCHEMBL10735516 0.82 RORA (0.42) RORARORCRORBALDH1A1CYP1A2
SCHEMBL10735119 0.81 TDP1 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10739940 0.77 TDP1 (0.64) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10827676 0.74 RORA (0.45) RORARORCRORBALDH1A1KDM4E
SCHEMBL10733448 0.73 SMN1; SMN2 (0.47) SMN1; SMN2RXFP1NPSR1HSD17B10
SCHEMBL10741313 0.69 NPSR1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10739938 0.68 TDP1 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E

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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