SCHEMBL9380982

SCHEMBL9380982

O=C(O)CCSc1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 5/20 0.53
▸ PRNP P04156 3/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ MAPK10 P53779 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ CYP2C9 P11712 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HK1 P19367 1/20 0.43

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
SCHEMBL9379905 0.85 CYP2C9 (0.68) RXFP1PRNPCYP2C9KDM4EHPGD
SCHEMBL10672389 0.82 CYP2C9 (0.75) RXFP1PRNPNPSR1MAPK10TSHR
SCHEMBL9379792 0.77 MAPT (0.47) RXFP1PRNPNPSR1MAPK10TSHR
SCHEMBL10675093 0.74 CYP2C9 (0.71) TSHRCYP2C9KDM4EALDH1A1SMN1; SMN2
SCHEMBL2117807 0.72 MCL1 (0.52) RXFP1PRNPNPSR1MAPK10TSHR
SCHEMBL27928660 0.72 ALOX15 (0.58) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9384536 0.71 ALOX15 (0.62) HPGDALDH1A1HSD17B10ALOX15MGAM
SCHEMBL9385188 0.70 ALOX15 (0.61) TSHRALOX15
SCHEMBL30744791 0.70 ALOX15 (0.61) RXFP1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL69125 0.70 KDM4E (0.64) MAPK1KDM4ETDP1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 — — US claimed
CN-1027369-C Excitatory amino acid antagonists MERRELL DOW PHARMA (US) 1995-01-11 — — CN disclosed
EP-0398283-B1 Excitatory amino acid antagonists MERRELL DOW PHARMA (US) 1994-11-02 — — EP disclosed
US-5112821-A Excitatory amino acid antagonists which are certain thienopyridives MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-12 — — US disclosed
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 — — US disclosed
CN-1047292-A EAA antagonists MERRELL DOW PHARMA (US) 1990-11-28 — — CN disclosed
EP-0398283-A1 Excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-22 — — EP disclosed
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