SCHEMBL19478356

SCHEMBL19478356

Bc1cncc(OC(C)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ ALKBH1 Q13686 1/20 0.39
▸ IGLV6-57 P01721 1/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ GCK P35557 2/20 0.37
▸ RORC P51449 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ LTB4R Q15722 5/20 0.36
▸ LTB4R2 Q9NPC1 5/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL15716509 0.81 LRRK2 (0.41) FFAR1ADRA2AADRA2BADRA2CALKBH1
SCHEMBL15716702 0.77 FFAR1 (0.40) FFAR1ADRA2AADRA2BADRA2CALKBH1
SCHEMBL24843944 0.77 CHRNB2 (0.43) —
SCHEMBL12260858 0.75 FFAR1 (0.53) FFAR1ADRA2AADRA2BADRA2CIGLV6-57
SCHEMBL28048770 0.75 CFTR (0.48) ADRA2AADRA2BADRA2CPOLB
SCHEMBL19478477 0.74 GCK (0.40) FFAR1ADRA2AADRA2BADRA2CALKBH1
SCHEMBL6904351 0.72 FFAR1 (0.61) FFAR1ADRA2AADRA2BADRA2CIGLV6-57
SCHEMBL4363303 0.72 FFAR1 (0.56) FFAR1ADRA2AADRA2BADRA2CIGLV6-57
SCHEMBL16052301 0.72 LPL (0.40) FFAR1ADRA2AADRA2BADRA2CALKBH1
SCHEMBL1203044 0.71 FFAR1 (0.39) FFAR1ADRA2AADRA2BADRA2CALKBH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970323-B1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS. GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD (GB) 2017-10-18 — — EP disclosed
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