SCHEMBL4606083

SCHEMBL4606083

Cc1cccc(N(C(N)=O)c2cccc(C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
SIGMAR1 Q99720 2/20 0.47
HSD17B1 P14061 5/20 0.45
HSD17B2 P37059 5/20 0.45
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
PAX8 Q06710 2/20 0.43
JAK2 O60674 1/20 0.43
HTT P42858 1/20 0.43
ACHE P22303 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL366746 0.94 PARP1 (0.47) PARP1SIGMAR1HSD17B1HSD17B2NPC1
SCHEMBL27493421 0.84 RAB9A (0.40) PARP1SIGMAR1HSD17B1HSD17B2NPC1
SCHEMBL28427633 0.84 TSHR (0.58) SIGMAR1NPC1ALDH1A1RAB9AHTT
SCHEMBL9547526 0.83 NPSR1 (0.54) PARP1HSD17B1HSD17B2NPC1ALDH1A1
SCHEMBL2723730 0.83 HSD17B1 (0.39) PARP1SIGMAR1HSD17B1HSD17B2NPC1
SCHEMBL25751951 0.82 SIGMAR1 (0.58) PARP1SIGMAR1HSD17B1HSD17B2LMNA
Hydrochloric Acid SCHEMBL27926140 0.81 SIGMAR1 (0.57) PARP1SIGMAR1HSD17B1HSD17B2LMNA
SCHEMBL5634132 0.81 PARP1 (0.48) PARP1SIGMAR1HSD17B1HSD17B2NPC1
SCHEMBL1118787 0.80 NPC1 (0.46) PARP1SIGMAR1HSD17B1HSD17B2NPC1
SCHEMBL5557095 0.80 SIGMAR1 (0.47) PARP1SIGMAR1HSD17B1HSD17B2NPC1

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
CN-103483224-A Substituted urea alcoholysis method for synthesizing carbamate compounds SHANXI COAL CHEM INST 2014-01-01 CN disclosed
EP-1943214-A2 HETEROGENEOUS SUPPORTED CATALYTIC CARBAMATE PROCESS Dow Gloval Technologies Inc. (US) 2008-07-16 EP disclosed
WO-2007015852-A2 HETEROGENEOUS SUPPORTED CATALYTIC CARBAMATE PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2007-02-08 WO disclosed
WO-1985001286-A1 A PROCESS FOR THE PREPARATION OF HERBICIDALLY ACTIVE PHENYL CARBAMATES AND HERBICIDAL COMPOSITIONS CONTAINING THE SAME KEMISK VA^ERK KO^/GE A/S (DK) 1985-03-28 WO disclosed
US-4430505-A UREA, PRIMARY AMINES, ALCOHOLS BAYER AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
US-4388238-A FROM PRIMARY AMINES, ALCOHOLS, AND CARBONYL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 US disclosed