SCHEMBL10333395

SCHEMBL10333395

COc1ccnc(-c2ccccc2Sc2nc3cc(Cl)ccc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.45
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
PDE10A Q9Y233 1/20 0.41
CYP2E1 P05181 4/20 0.39
CYP2C8 P10632 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2B6 P20813 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAB1 Q9Y478 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
SCHEMBL10333572 0.92 NOS2 (0.48) NOS2NOS3NOS1PDE10ACYP2E1
SCHEMBL10333243 0.89 NOS2 (0.46) NOS2NOS3NOS1PDE10ACYP2E1
SCHEMBL10334040 0.88 NOS2 (0.57) NOS2NOS3NOS1PDE10ACYP2E1
SCHEMBL10333548 0.88 NOS2 (0.53) NOS2NOS3NOS1PDE10ACYP2E1
SCHEMBL10333386 0.85 NOS2 (0.44) NOS2NOS3NOS1PDE10ACYP2E1
SCHEMBL10333582 0.84 NOS2 (0.43) NOS2NOS3NOS1PDE10ACYP2E1
SCHEMBL10333596 0.84 CBFB (0.47) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10333151 0.84 SENP1 (0.43) NOS2NOS3NOS1PDE10ACYP2D6
SCHEMBL10333695 0.84 PDE10A (0.47) NOS2NOS3NOS1PDE10ANPC1
SCHEMBL10333620 0.83 NPC1 (0.46) NOS2NOS3NOS1CYP2E1CYP2C8

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
EP-0283504-A1 COMPOUNDS FISONS plc (GB) 1988-09-28 EP claimed
WO-1988002367-A1 COMPOUNDS FISONS PLC (GB) 1988-04-07 WO claimed
EP-0262845-A1 Heterocyclic substituted azole derivatives FISONS plc (GB) 1988-04-06 EP claimed
US-4900751-A 2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having antiflammatory or gastic acid secretion inhibition activity FISONS PLC (GB) 1990-02-13 US disclosed
EP-0283504-A1 COMPOUNDS FISONS plc (GB) 1988-09-28 EP disclosed
WO-1988002367-A1 COMPOUNDS FISONS PLC (GB) 1988-04-07 WO disclosed
EP-0262845-A1 Heterocyclic substituted azole derivatives FISONS plc (GB) 1988-04-06 EP disclosed