SCHEMBL10692167

SCHEMBL10692167

O=C(O)CSc1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.65
▸ PRKAG1 P54619 5/20 0.62
▸ PRKAB1 Q9Y478 5/20 0.62
▸ PRKAA2 P54646 4/20 0.62
▸ RAB9A P51151 3/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ PTPN1 P18031 2/20 0.54
▸ GCGR P47871 4/20 0.50
▸ ALPL P05186 1/20 0.50
▸ ALPG P10696 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PRKAA1 Q13131 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NPC1 O15118 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2E1 P05181 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
SCHEMBL10692180 0.89 RAB9A (0.71) KMT2APRKAG1PRKAB1PRKAA2RAB9A
SCHEMBL10691975 0.84 CYP1A2 (0.59) KMT2APRKAG1PRKAB1PRKAA2PTPN1
SCHEMBL11118850 0.83 MAPT (0.58) KMT2APRKAG1PRKAB1PRKAA2RAB9A
SCHEMBL10360138 0.83 PRKAG1 (0.49) KMT2APRKAG1PRKAB1PRKAA2RAB9A
SCHEMBL14959209 0.83 KMT2A (0.65) KMT2APRKAG1PRKAB1PRKAA2RAB9A
SCHEMBL16208396 0.80 PTPN1 (0.59) KMT2APTPN1ALDH1A1HPGDTDP1
SCHEMBL11119849 0.80 KMT2A (0.60) KMT2APRKAG1PRKAB1PRKAA2RAB9A
SCHEMBL15678761 0.80 KMT2A (0.60) KMT2APRKAG1PRKAB1PRKAA2RAB9A
SCHEMBL12387288 0.79 PRKAG1 (0.81) KMT2APRKAG1PRKAB1PRKAA2RAB9A
SCHEMBL3515244 0.79 KMT2A (1.00) KMT2ARAB9AHSD17B10GCGRALPL

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
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 — — US disclosed
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 — — EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 — — EP disclosed
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