SCHEMBL6798736

SCHEMBL6798736

N#Cc1ccc(NCc2cccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
KDM4E B2RXH2 7/20 0.51
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
ALDH1A1 P00352 7/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 5/20 0.48
LMNA P02545 5/20 0.48
CYP2C19 P33261 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
CLK4 Q9HAZ1 4/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL933760 0.83 CYP1A2 (0.57) L3MBTL1KDM4EPTPN1PTPN11ALDH1A1
SCHEMBL2716691 0.78 L3MBTL1 (0.70) L3MBTL1KDM4EPTPN1PTPN11ALDH1A1
SCHEMBL9529688 0.78 HPGD (0.70) KDM4EALDH1A1GAAMAPTCYP1A2
SCHEMBL8782898 0.77 L3MBTL1 (0.69) L3MBTL1KDM4EPTPN1PTPN11ALDH1A1
SCHEMBL8322277 0.77 L3MBTL1 (0.69) L3MBTL1KDM4EPTPN1PTPN11ALDH1A1
SCHEMBL15456012 0.77 L3MBTL1 (0.64) L3MBTL1KDM4EPTPN1PTPN11ALDH1A1
SCHEMBL456924 0.77 L3MBTL1 (0.69) L3MBTL1KDM4EPTPN1PTPN11ALDH1A1
SCHEMBL4392892 0.77 CYP2C19 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL28769847 0.76 PTPN1 (0.53) L3MBTL1KDM4EPTPN1PTPN11ALDH1A1
Hydrochloric Acid SCHEMBL6298735 0.76 L3MBTL1 (0.67) L3MBTL1KDM4EPTPN1PTPN11ALDH1A1

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
CN-1308297-C Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2007-04-04 CN disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
CN-1360570-A Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2002-07-24 CN disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed