SCHEMBL20514935

SCHEMBL20514935

O=C(Cl)c1cc([N+](=O)[O-])cn1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.33
NAMPT P43490 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2399432 0.73 ALDH1A1 (0.43) ALDH1A1TSHRPOLBLMNAHTT
SCHEMBL31493403 0.72 AR (0.47) ALDH1A1TSHRPOLBLMNA
SCHEMBL6819794 0.69 AR (0.45) ALDH1A1POLB
SCHEMBL5889531 0.65 GAA (0.39) ALDH1A1TSHRPOLBLMNAHTT
SCHEMBL1841466 0.64 SIGMAR1 (0.37) TDP1LMNAHTT
SCHEMBL9956839 0.62 DRD2 (0.36) LMNA
SCHEMBL11673012 0.61 ALDH1A1 (0.48) ALDH1A1TSHRTDP1KDM4ELMNA
SCHEMBL1842086 0.61 KMT2A (0.43) ALDH1A1POLBLMNAHTT
SCHEMBL1662655 0.61 AR (0.51) ALDH1A1TSHRPOLBTDP1
SCHEMBL12438322 0.61 MAPK1 (0.44) ALDH1A1TSHRPOLBLMNAHTT

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
WO-2018177863-A1 DERIVATIVES OF THE DISODIUM 2,2'-{CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL) CARBONYLIMINO]}DINAPHTHALENE-1,5-DISULFONATE SALT AND RELATED COMPOUNDS AS HEPARANASE INHIBITORS FOR THE TREATMENT OF CANCER LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
EP-3381897-A1 DERIVATIVES OF THE DISODIUM 2,2'-{CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL)CARBONYLIMINO]}DINAPHTHALENE-1,5-DISULFONATE SALT AND RELATED COMPOUNDS AS HEPARANASE INHIBITORS FOR THE TREATMENT OF CANCER Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed