SCHEMBL7528348

SCHEMBL7528348

COc1cc(-c2ccccc2)nc(S(C)(=O)=O)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
BPTF Q12830 1/20 0.60
NPSR1 Q6W5P4 7/20 0.58
KMT2A Q03164 7/20 0.58
HPGD P15428 6/20 0.58
SDHB P21912 4/20 0.58
HTT P42858 4/20 0.58
TP53 P04637 3/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 2/20 0.58
STAT3 P40763 2/20 0.58
HSD17B10 Q99714 2/20 0.58
S1PR4 O95977 1/20 0.58
POLB P06746 1/20 0.58
S1PR1 P21453 1/20 0.58
MAPK1 P28482 1/20 0.58
STAT1 P42224 1/20 0.58
TLR9 Q9NR96 1/20 0.58
ALDH1A1 P00352 6/20 0.58

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
SCHEMBL3825032 0.86 LMNA (0.62) LMNASMN1; SMN2BPTFNPSR1KMT2A
SCHEMBL5593130 0.83 KMT2A (0.67) LMNASMN1; SMN2BPTFNPSR1KMT2A
SCHEMBL1067726 0.79 SMN1; SMN2 (1.00) LMNASMN1; SMN2BPTFNPSR1KMT2A
SCHEMBL7532076 0.79 BPTF (0.65) LMNASMN1; SMN2BPTFNPSR1KMT2A
SCHEMBL5592833 0.78 BPTF (0.63) LMNASMN1; SMN2BPTFNPSR1KMT2A
SCHEMBL5749278 0.76 LMNA (0.53) LMNASMN1; SMN2BPTFNPSR1KMT2A
SCHEMBL5592879 0.76 KMT2A (0.62) LMNASMN1; SMN2BPTFNPSR1KMT2A
SCHEMBL5593055 0.76 BPTF (0.61) LMNASMN1; SMN2BPTFNPSR1KMT2A
SCHEMBL3827732 0.76 SMN1; SMN2 (0.51) LMNASMN1; SMN2NPSR1KMT2AHPGD
SCHEMBL5593297 0.75 SDHB (0.68) LMNASMN1; SMN2BPTFNPSR1KMT2A

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-1181281-A2 NOVEL CARBOXYLIC ACID DERIVATIVES COMPRISING ARYL-SUBSTITUTED NITROGEN HETEROCYCLES, THEIR PRODUCTION AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000073276-A2 CARBOXYLIC ACID DERIVATIVES COMPRISING ARYL-SUBSTITUTED NITROGEN HETEROCYCLES, THEIR PRODUCTION AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-12-07 WO disclosed