SCHEMBL4715423

SCHEMBL4715423

Cc1ccc(S(=O)(=O)NCCc2ccc(Oc3ccccc3)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
GUSB P08236 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
EPHX2 P34913 1/20 0.45
TBXA2R P21731 1/20 0.45
TBXAS1 P24557 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4714003 0.86 ALDH1A1 (0.53) ALDH1A1HTTNPSR1POLBSMN1; SMN2
SCHEMBL4715421 0.85 ALDH1A1 (0.46) ALDH1A1HTTNPSR1POLBGUSB
SCHEMBL5048907 0.72 GUSB (0.44) GUSBEPHX2AKR1C3
SCHEMBL11888616 0.72 SMN1; SMN2 (0.64) ALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL3699519 0.72 KMT2A (0.57) ALDH1A1HTTNPSR1SMN1; SMN2L3MBTL1
SCHEMBL4902642 0.71 LMNA (0.60) ALDH1A1POLBSMN1; SMN2TBXA2RTBXAS1
SCHEMBL4714000 0.70 ALDH1A1 (0.46) ALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL4025022 0.70 TSHR (0.49) ALDH1A1HTTPOLBSMN1; SMN2EPHX2
SCHEMBL4025020 0.70 TSHR (0.49) ALDH1A1HTTSMN1; SMN2EPHX2L3MBTL1
SCHEMBL4903809 0.70 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2TBXA2RTBXAS1

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-1986637-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS Laboratoires Serono SA (CH) 2008-11-05 EP claimed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO claimed