SCHEMBL4716454

SCHEMBL4716454

CCCCC(CC)CNS(=O)(=O)c1ccc(C)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
HTT P42858 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 7/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
POLB P06746 1/20 0.34
S1PR4 O95977 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4716453 0.85 TSHR (0.42) TSHRHTTKMT2ASMN1; SMN2MEN1
SCHEMBL4711947 0.84 TSHR (0.41) TSHRHTTKMT2ASMN1; SMN2MEN1
SCHEMBL11051510 0.78 KMT2A (0.61) TSHRHTTKMT2ASMN1; SMN2MEN1
SCHEMBL3469704 0.76 GBA1 (0.55) TSHRKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL4715815 0.76 KMT2A (0.71) TSHRHTTKMT2ASMN1; SMN2MEN1
SCHEMBL6986603 0.75 KMT2A (0.52) TSHRHTTKMT2ASMN1; SMN2MEN1
SCHEMBL6989273 0.75 KMT2A (0.35) TSHRHTTKMT2ASMN1; SMN2MEN1
SCHEMBL4713480 0.75 HTT (0.44) TSHRHTTKMT2ASMN1; SMN2MEN1
SCHEMBL226294 0.74 ALDH1A1 (0.51) TSHRHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4025655 0.74 TSHR (0.40) TSHRHTTKMT2ASMN1; SMN2MEN1

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 4 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
EP-1986637-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS Laboratoires Serono SA (CH) 2008-11-05 EP disclosed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO disclosed