SCHEMBL8109132

SCHEMBL8109132

CCC1(c2ccccc2)NC(S)SC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ FPR2 P25090 1/20 0.33
▸ ADAM17 P78536 1/20 0.33

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
SCHEMBL7243423 0.67 CYP2C19 (0.50) CYP2C19TSHRLMNAKMT2AMEN1
SCHEMBL4123231 0.65 ADAM17 (0.62) CYP2C19TSHRLMNAADAM17
SCHEMBL3400918 0.65 ADAM17 (0.62) CYP2C19TSHRLMNAADAM17
SCHEMBL2191989 0.65 ADAM17 (0.62) CYP2C19TSHRLMNAADAM17
SCHEMBL9737188 0.64 CYP2C19 (0.43) CYP2C19TSHRLMNAKMT2AMEN1
Phenylthilone SCHEMBL719266 0.64 KMT2A (0.45) CYP2C19TSHRLMNAKMT2AMEN1
SCHEMBL5924439 0.64 CYP2C19 (0.50) CYP2C19TSHRLMNAKMT2AMEN1
Mephenytoin SCHEMBL21766 0.62 CYP2C19 (1.00) CYP2C19TSHRLMNAKMT2AMEN1
SCHEMBL11255982 0.62 CYP2C19 (0.53) CYP2C19TSHRLMNAKMT2AMEN1
Mephenytoin SCHEMBL21768 0.62 CYP2C19 (1.00) CYP2C19TSHRLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915858-B1 INTERMEDIATES FOR THE PREPARATION OF 2-IMIDAZOLINE-5-ONES AVENTIS CROPSCIENCE SA (FR) 2000-09-13 — — EP claimed
EP-0915858-A1 INTERMEDIATES FOR THE PREPARATION OF 2-IMIDAZOLINE-5-ONES Rhone Poulenc Agro (FR) 1999-05-19 — — EP claimed
WO-1998003490-A1 INTERMEDIATES FOR THE PREPARATION OF 2-IMIDAZOLINE-5-ONES RHONE POULENC AGRO (FR) 1998-01-29 — — WO claimed
EP-0915858-B1 INTERMEDIATES FOR THE PREPARATION OF 2-IMIDAZOLINE-5-ONES AVENTIS CROPSCIENCE SA (FR) 2000-09-13 — — EP disclosed
EP-0915858-A1 INTERMEDIATES FOR THE PREPARATION OF 2-IMIDAZOLINE-5-ONES Rhone Poulenc Agro (FR) 1999-05-19 — — EP disclosed
WO-1998003490-A1 INTERMEDIATES FOR THE PREPARATION OF 2-IMIDAZOLINE-5-ONES RHONE POULENC AGRO (FR) 1998-01-29 — — WO disclosed
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