SCHEMBL7337103

SCHEMBL7337103

COc1ccc(Cc2cc3ccccc3s2)cc1OC.COc1ccc(Cc2cc3ccccc3s2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 5/20 0.61
CA2 P00918 1/20 0.54
NAMPT P43490 1/20 0.53
CYP2A6 P11509 3/20 0.50
ADRB2 P07550 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
AGXT P21549 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
POLB P06746 1/20 0.46
ADRA1D P25100 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL6959919 1.00 SLC5A2 (0.61) SLC5A2CA2NAMPTCYP2A6ADRB2
SCHEMBL1539306 0.87 SLC5A2 (0.55) SLC5A2NAMPTCYP2A6ADRB2SMN1; SMN2
SCHEMBL6958014 0.85 TUBB4A (0.53) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL7086153 0.82 CYP2A6 (0.53) SLC5A2CYP2A6ADRB2NPC1RAB9A
SCHEMBL7819877 0.79 CYP2A6 (0.50) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL7339450 0.79 SLC5A2 (0.55) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL6964522 0.79 SLC5A2 (0.55) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL12257578 0.78 SLC5A2 (0.71) SLC5A2
SCHEMBL1854869 0.78 SLC5A2 (0.47) SLC5A2NAMPTCYP2A6ADRB2AGXT
SCHEMBL2201493 0.78 SLC5A2 (1.00) SLC5A2

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-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed