SCHEMBL4431981

SCHEMBL4431981

O=S(=O)(Cc1ccccc1)N(c1ccncc1)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
NAMPT P43490 3/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
FAAH O00519 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
ELANE P08246 1/20 0.42
PRTN3 P24158 1/20 0.42
PRSS3 P35030 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
PKM P14618 1/20 0.42
CNR2 P34972 1/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3182720 0.87 HSP90AA1 (0.66) HSP90AA1CA1CA2FAAHPRSS1
SCHEMBL17865800 0.77 KDM4E (0.49) HSP90AA1NAMPTHPGDHSD17B10SMN1; SMN2
SCHEMBL27966141 0.75 HSP90AA1 (0.44) HSP90AA1NAMPTHPGDSMN1; SMN2POLB
SCHEMBL11182611 0.72 CYP1A2 (0.49) HSP90AA1NAMPTUSP2HPGDHSD17B10
SCHEMBL29482080 0.72 TSHR (0.58) NAMPTCA1CA2FAAHPRSS1
SCHEMBL10597184 0.69 HSP90AA1 (0.58) HSP90AA1CA1CA2FAAHPRSS1
SCHEMBL29525469 0.69 NAMPT (0.43) NAMPTPKMUSP2HPGDHSD17B10
SCHEMBL7095387 0.69 ALDH1A1 (0.60) NAMPTPKMHPGDSMN1; SMN2LMNA
SCHEMBL3174757 0.69 HSP90AA1 (0.57) HSP90AA1CA1CA2FAAHPRSS1
SCHEMBL6503919 0.69 HSP90AA1 (0.57) HSP90AA1CA1CA2FAAHPRSS1

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
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO disclosed