SCHEMBL10742041

SCHEMBL10742041

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RORA P35398 3/20 0.44
▸ RORC P51449 3/20 0.44
▸ RORB Q92753 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ PGR P06401 2/20 0.40
▸ TSHR P16473 1/20 0.39

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 0.85 TDP1 (0.57) SMN1; SMN2TDP1ALDH1A1NPSR1MAPT
SCHEMBL10741313 0.85 NPSR1 (0.55) SMN1; SMN2TDP1ALDH1A1NPSR1MAPT
SCHEMBL10739859 0.85 RORA (0.46) SMN1; SMN2RORARORCRORBTDP1
SCHEMBL10737433 0.81 TDP1 (0.64) SMN1; SMN2TDP1ALDH1A1NPSR1MAPT
SCHEMBL10735516 0.80 RORA (0.42) SMN1; SMN2RORARORCRORBTDP1
SCHEMBL10741952 0.79 PDE7A (0.44) SMN1; SMN2ALDH1A1TSHR
SCHEMBL10737796 0.74 PDE7A (0.47) SMN1; SMN2ALDH1A1MAPT
SCHEMBL10735119 0.72 TDP1 (0.57) SMN1; SMN2TDP1ALDH1A1NPSR1MAPT
SCHEMBL10827676 0.72 RORA (0.45) SMN1; SMN2RORARORCRORBTDP1
SCHEMBL18029436 0.70 TDP1 (0.63) SMN1; SMN2TDP1ALDH1A1NPSR1MAPT

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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