SCHEMBL9749076

SCHEMBL9749076

CCOC(=O)c1c(-c2ccc3ccccc3n2)n[nH]c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.43
KDM4E B2RXH2 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRNP P04156 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.40
HPGDS O60760 1/20 0.40
TP53 P04637 3/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL9747984 0.86 MEN1 (0.42) ADORA3KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL9748942 0.86 KDM4E (0.43) ADORA3KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL9748885 0.84 KDM4E (0.39) ADORA3KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL10921204 0.81 CA12 (0.42) ADORA3KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL10924140 0.80 PDE4D (0.43) ADORA3KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL10928314 0.80 CA12 (0.41) ADORA3KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL9749174 0.80 TSHR (0.45) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10919570 0.80 LMNA (0.47) ADORA3KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL9749658 0.78 POLB (0.37) ADORA3KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL10514354 0.76 PDE4D (0.40) ADORA3KDM4ESMN1; SMN2ALDH1A1MAPT

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-0224842-B1 PYRAZOLESULFONAMIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND HERBICIDE CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-02-05 EP disclosed