SCHEMBL9202116

SCHEMBL9202116

O=C(Nc1nnc(SCc2ccncc2)s1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ THRB P10828 1/20 0.51
▸ LMNA P02545 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ ABCC8 Q09428 2/20 0.48
▸ KCNJ11 Q14654 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ABL1 P00519 7/20 0.48
▸ SRC P12931 7/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL9201027 0.93 KDM4E (0.59) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9202008 0.90 ABL1 (0.59) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL9207418 0.86 ALDH1A1 (0.49) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9203437 0.83 ABL1 (0.60) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9203908 0.82 MAPT (0.62) KDM4ESMN1; SMN2ALDH1A1MAPTTHRB
SCHEMBL9205774 0.78 RAB9A (0.53) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9202732 0.78 CA12 (0.51) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7640498 0.78 CA12 (0.51) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9203435 0.77 NPC1 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1RECQL
SCHEMBL9208681 0.77 CA12 (0.50) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1

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
EP-0550493-B1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS UPJOHN CO (US) 1995-08-09 — — EP claimed
WO-1992006083-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-04-16 — — WO claimed
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