SCHEMBL10672389

SCHEMBL10672389

O=C(O)CCSc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.75
▸ ACP1 P24666 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ PDE10A Q9Y233 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ RXFP1 Q9HBX9 4/20 0.52
▸ TSHR P16473 3/20 0.52
▸ PRNP P04156 2/20 0.52
▸ MAPK10 P53779 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ POLB P06746 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ DHODH Q02127 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL10675093 0.92 CYP2C9 (0.71) CYP2C9ACP1SMN1; SMN2KDM4EPDE10A
SCHEMBL10673820 0.86 CYP2C9 (1.00) CYP2C9ACP1SMN1; SMN2KDM4EPDE10A
SCHEMBL10683012 0.84 CYP2C9 (0.60) CYP2C9ACP1SMN1; SMN2KDM4EPDE10A
Hydrochloric Acid SCHEMBL10673862 0.83 CYP2C9 (0.59) CYP2C9ACP1SMN1; SMN2KDM4EPDE10A
SCHEMBL9380982 0.82 RXFP1 (0.53) CYP2C9SMN1; SMN2KDM4ERXFP1TSHR
SCHEMBL10671292 0.77 PDE10A (0.58) CYP2C9SMN1; SMN2KDM4EPDE10ALMNA
Hydrochloric Acid SCHEMBL26649569 0.75 PDE10A (0.56) CYP2C9SMN1; SMN2KDM4EPDE10ALMNA
Hydrochloric Acid SCHEMBL10676746 0.75 CYP2C9 (0.69) CYP2C9SMN1; SMN2KDM4ELMNATSHR
SCHEMBL10674581 0.74 PDE10A (0.55) CYP2C9SMN1; SMN2KDM4EPDE10ALMNA
SCHEMBL10679321 0.74 LMNA (0.68) CYP2C9SMN1; SMN2KDM4EPDE10ALMNA

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-4788204-A TRANQUILIZERS; ANTICONVULSANTS; ANGINA AND IMMUNODIFICIENCY TREATMENTS RHONE-POULENC SANTE (FR) 1988-11-29 — — US disclosed
US-4788199-A ANXIOLYTICS, ANTICONVULSANTS, ANTIANGINA AGENTS RHONE-POULENC SANTE (FR) 1988-11-29 — — US disclosed
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