SCHEMBL6801568

SCHEMBL6801568

CNC(=O)c1cc(-c2ccc(OS(N)(=O)=O)cc2)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 9/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
HPGD P15428 5/20 0.53
TP53 P04637 3/20 0.53
MAPT P10636 3/20 0.50
SMPD1 P17405 2/20 0.50
HSD17B10 Q99714 2/20 0.49
ROCK2 O75116 1/20 0.49
PIM1 P11309 1/20 0.49
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 2/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL6805906 0.78 CYP1A2 (0.55) NPC1TP53MAPTKMT2A
SCHEMBL6802996 0.78 TP53 (0.68) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL3219488 0.76 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL10153708 0.76 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL21446983 0.75 ROCK2 (0.59) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL22322454 0.75 HPGD (0.55) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL19245571 0.71 ROCK2 (0.57) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21536740 0.70 ALDH1A1 (0.62) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL3236082 0.69 ROCK2 (0.49) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL24376430 0.68 MLLT1 (0.71) RAB9ANPC1SMN1; SMN2HPGDTP53

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