SCHEMBL10366184

SCHEMBL10366184

COc1cc(C)nc(S(=O)(=O)Cc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MCOLN3 Q8TDD5 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ TXNRD1 Q16881 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL7807155 0.91 TXNRD1 (0.52) HTTSMN1; SMN2TSHRNPSR1MCOLN3
SCHEMBL9762459 0.86 TXNRD1 (0.51) SMN1; SMN2TSHRNPSR1KMT2ATXNRD1
SCHEMBL18063513 0.85 KMT2A (0.60) HTTSMN1; SMN2TSHRNPSR1MCOLN3
SCHEMBL9622912 0.74 TXNRD1 (0.55) HTTSMN1; SMN2TSHRNPSR1KMT2A
SCHEMBL6561352 0.73 SMN1; SMN2 (0.78) HTTSMN1; SMN2TSHRNPSR1MCOLN3
SCHEMBL10975489 0.72 POLB (0.58) HTTSMN1; SMN2TSHRNPSR1KMT2A
SCHEMBL19214329 0.72 KMT2A (0.46) HTTSMN1; SMN2TSHRNPSR1KMT2A
SCHEMBL8558105 0.71 ALDH1A1 (0.48) HTTSMN1; SMN2TSHRNPSR1KMT2A
SCHEMBL31527791 0.70 SMN1; SMN2 (0.52) HTTSMN1; SMN2TSHRNPSR1MCOLN3
SCHEMBL6651527 0.70 SMN1; SMN2 (0.56) SMN1; SMN2TSHRTXNRD1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223406-B1 PYRIMIDINE DERIVATIVES AND HERBICIDAL USES THEREOF KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-08-29 — — EP disclosed
US-4770691-A HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-09-13 — — US disclosed
EP-0223406-A1 Pyrimidine derivatives and herbicidal uses thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-05-27 — — EP disclosed
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