SCHEMBL7448246

SCHEMBL7448246

CN(c1ncccn1)S(=O)(=O)c1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 5/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
C5AR1 P21730 1/20 0.32
BRD4 O60885 1/20 0.32
CA12 O43570 1/20 0.31

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
SCHEMBL7438831 0.85 BRD4 (0.45) TSHRATMKMT2ANPC1RAB9A
SCHEMBL7410161 0.79 CA12 (0.51) TSHRATMKMT2ASMN1; SMN2MAPK1
SCHEMBL182586 0.77 ALDH1A1 (0.40) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7445551 0.76 GAA (0.39) KMT2AMEN1GAAHPGDLMNA
SCHEMBL7354826 0.76 CA12 (0.35) TSHRKMT2ANPC1RAB9AMAPK1
SCHEMBL14507082 0.74 NR1I2 (0.51) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL6749782 0.73 KDM4E (0.61) TSHRATMKMT2ASMN1; SMN2HSD17B10
SCHEMBL3664285 0.71 ALDH1A1 (0.33) ALDH1A1C5AR1
SCHEMBL6749657 0.71 PGR (0.57) TSHRKMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL8749765 0.71 SMN1; SMN2 (0.36) TSHRKMT2ANPC1RAB9ASMN1; SMN2

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-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed