SCHEMBL18113103

SCHEMBL18113103

CCOC(=O)Cc1ccccc1SC(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CXCR3 P49682 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ SLC2A2 P11168 1/20 0.39
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL18113138 0.89 NPC1 (0.46) RAB9ANPC1POLBHSP90AA1MAPT
SCHEMBL18113317 0.88 MAPT (0.44) CYP1A2CYP2C19MAPTPKMSMN1; SMN2
SCHEMBL18113123 0.85 EPHX2 (0.40) RAB9ANPC1POLBHSP90AA1MAPT
SCHEMBL18113183 0.81 MAPT (0.43) RAB9ACYP1A2CYP2C19NPC1POLB
SCHEMBL18113162 0.79 ACHE (0.52) PKMSMN1; SMN2KMT2ACYP4F2CYP4A11
SCHEMBL18113194 0.79 TSHR (0.53) RAB9ACYP1A2TDP1NPC1POLB
SCHEMBL19895786 0.77 ACHE (0.47) PKMLMNACYP4F2CYP4A11
SCHEMBL18113112 0.77 PKM (0.46) TDP1PKMSMN1; SMN2KMT2ACYP4F2
SCHEMBL22092402 0.76 PKM (0.43) NPC1POLBMAPTPKMSMN1; SMN2
SCHEMBL19895798 0.76 PKM (0.45) MAPTPKMSMN1; SMN2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277736-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-03-27 — — EP disclosed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 — — US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 — — US disclosed
EP-3277736-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-02-07 — — EP disclosed
WO-2016156473-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-10-06 — — WO disclosed
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