SCHEMBL4314318

SCHEMBL4314318

Clc1cccc2[nH]ncc12.Clc1cccc2[nH]ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 5/20 1.00
▸ AXL P30530 2/20 0.59
▸ IDO1 P14902 3/20 0.55
▸ METAP2 P50579 2/20 0.53
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ RARG P13631 1/20 0.43
▸ TRPA1 O75762 1/20 0.42

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
SCHEMBL30234107 1.00 NOS1 (1.00) NOS1AXLIDO1METAP2JAK2
SCHEMBL476854 1.00 NOS1 (1.00) NOS1AXLIDO1METAP2JAK2
SCHEMBL18669085 0.76 NOS1 (0.60) NOS1AXLIDO1JAK2JAK1
SCHEMBL12601112 0.76 NOS1 (0.61) NOS1AXLIDO1METAP2JAK2
SCHEMBL10594553 0.75 NOS1 (0.59) NOS1AXLIDO1METAP2TRPA1
SCHEMBL277055 0.74 NOS1 (0.59) NOS1AXLIDO1METAP2JAK2
SCHEMBL277054 0.74 NOS1 (0.59) NOS1AXLIDO1METAP2JAK2
SCHEMBL5951586 0.74 AXL (0.63) NOS1AXLIDO1METAP2JAK2
SCHEMBL907863 0.74 NOS1 (0.59) NOS1AXLIDO1METAP2JAK2
SCHEMBL18193497 0.74 NOS1 (0.59) NOS1AXLIDO1METAP2JAK2

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
EP-2012779-A2 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS Abbott Laboratories (US) 2009-01-14 — — EP disclosed
WO-2007121339-A2 PROCESS FOR THE PREPARATION OF INDAZOLYL UREAS THAT INHIBIT VANILLOID SUBTYPE 1 (VR1) RECEPTORS ABBOTT LABORATORIES (US) 2007-10-25 — — WO disclosed
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