SCHEMBL9814744

SCHEMBL9814744

CCN(N)c1ccc(C)cc1CCNS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.40
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
RECQL P46063 1/20 0.37
NR1D1 P20393 1/20 0.37
MTNR1A P48039 1/20 0.36
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL6549468 0.77 TAAR1 (0.37) HSD17B10KDM4EPOLBCYP3A4ALDH1A1
SCHEMBL9665632 0.74 NQO2 (0.43) NQO2HSD17B10KDM4EPOLBCYP1A2
Hydrochloric Acid SCHEMBL8660796 0.73 GAA (0.42) NQO2HSD17B10KDM4EPOLBCYP3A4
SCHEMBL8595213 0.70 ALDH1A1 (0.38) KDM4ECYP3A4ALDH1A1MAPTRECQL
SCHEMBL11197302 0.67 TDP1 (0.37) KDM4ECYP1A2CYP3A4ALDH1A1TP53
SCHEMBL13869172 0.66 CYP19A1 (0.47) HSD17B10TSHRMAPTNR3C1
Hydrochloric Acid SCHEMBL6554321 0.66 NQO2 (0.54) NQO2HSD17B10KDM4EPOLBMAPT
SCHEMBL5595050 0.66 S100B (0.46) NQO2HSD17B10KDM4EPOLBCYP3A4
SCHEMBL10699446 0.66 NQO2 (0.50) NQO2HSD17B10KDM4EPOLBMAPT
SCHEMBL7027431 0.66 ESRRG (0.39) NQO2KDM4EPOLBALDH1A1RECQL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445444-A1 Photographic emulsions ILFORD Limited (GB) 1991-09-11 EP disclosed