SCHEMBL10732333

SCHEMBL10732333

O=C(O)COc1c(SBr)cc(SBr)cc1SBr

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ CD69 Q07108 5/20 0.40
▸ ELANE P08246 1/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10729144 0.75 CD69 (0.41) KMT2ACD69ELANEALOX15TSHR
SCHEMBL8954486 0.66 AKR1B1 (0.57) KMT2AALOX15TSHRHSD17B10PTPN1
SCHEMBL10387977 0.66 KMT2A (0.59) KMT2ACD69ALOX15KDM4ESMN1; SMN2
SCHEMBL2059516 0.66 KMT2A (0.55) KMT2ACD69ALOX15KDM4ESMN1; SMN2
SCHEMBL13534917 0.64 ALDH1A1 (0.57) KMT2ACD69ELANEHSD17B10PKM
SCHEMBL3201351 0.63 KMT2A (0.55) KMT2ACD69ELANEALOX15TSHR
SCHEMBL6746937 0.63 THRB (0.54) KMT2AALOX15TSHRHSD17B10PKM
SCHEMBL28645298 0.62 ALOX15 (0.65) KMT2ACD69ALOX15TSHRHSD17B10
SCHEMBL4626719 0.62 TDP1 (0.50) KMT2AALOX15TSHRHSD17B10PKM
SCHEMBL27883319 0.62 PTPN1 (0.53) KMT2ACD69ALOX15TSHRHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4672065-A TOMATO LATE BLIGHT CHEVRON RESEARCH COMPANY (US) 1987-06-09 — — US disclosed
US-4535087-A FOR TOMATO LATE BLIGHT CHEVRON RESEARCH COMPANY (US) 1985-08-13 — — US disclosed
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