SCHEMBL10762337

SCHEMBL10762337

C=C(C)n1c(S[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ USP2 O75604 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PDE7A Q13946 2/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 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
SCHEMBL10742659 0.80 TSHR (0.48) TSHRALDH1A1HSD17B10USP2SMN1; SMN2
SCHEMBL10741199 0.80 USP2 (0.57) TSHRALDH1A1USP2SMN1; SMN2TDP1
SCHEMBL10743331 0.79 ATM (0.49) TSHRALDH1A1SMN1; SMN2PDE7ATDP1
SCHEMBL10742059 0.76 PDE7A (0.45) TSHRALDH1A1USP2PTGS2SMN1; SMN2
SCHEMBL10739938 0.72 TDP1 (0.57) TSHRALDH1A1HSD17B10SMN1; SMN2TDP1
SCHEMBL10737433 0.71 TDP1 (0.64) TSHRALDH1A1HSD17B10SMN1; SMN2TDP1
SCHEMBL10741723 0.68 CYP3A4 (0.50) TSHRUSP2SMN1; SMN2TDP1POLB
SCHEMBL10733928 0.67 PDE7A (0.49) TSHRALDH1A1PTGS2SMN1; SMN2PDE7A
SCHEMBL24754223 0.64 USP5 (0.50) TSHRHSD17B10SMN1; SMN2POLBKDM4E
SCHEMBL6248101 0.64 USP2 (0.62) TSHRALDH1A1USP2SMN1; SMN2TDP1

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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