SCHEMBL6806541

SCHEMBL6806541

N#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OS(N)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
CA12 O43570 3/20 0.52
MAPT P10636 7/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PABPC1 P11940 1/20 0.42
DUSP3 P51452 1/20 0.42

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
SCHEMBL20488395 0.85 RECQL (0.55) MAPTRAB9ASMN1; SMN2RECQLMEN1
SCHEMBL30665825 0.85 RECQL (0.55) MAPTRAB9ASMN1; SMN2RECQLMEN1
SCHEMBL3526801 0.81 KMT2A (0.56) MAPTRAB9ASMN1; SMN2RECQLMEN1
SCHEMBL6798465 0.78 CA9 (0.78) CA1CA2CA9CA12MAPT
SCHEMBL11509602 0.77 KMT2A (0.65) MAPTRAB9ASMN1; SMN2RECQLMEN1
SCHEMBL7375875 0.76 HTT (0.60) MAPTRAB9ASMN1; SMN2LMNARECQL
SCHEMBL4667754 0.76 STS (0.67) CA1CA2CA9CA12LMNA
SCHEMBL28584082 0.73 WDR5 (0.56) MAPTRAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2336518 0.72 RECQL (0.68) MAPTSMN1; SMN2LMNARECQLMEN1
SCHEMBL4666136 0.72 CA1 (0.52) CA1CA2CA9CA12MAPT

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