SCHEMBL7431107

SCHEMBL7431107

NC(=NO)c1nc(-c2cccc(Cl)c2Cl)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.52
ATP4A P20648 4/20 0.47
ATP4B P51164 4/20 0.47
RORC P51449 1/20 0.38
NUDT1 P36639 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.37
MPL P40238 1/20 0.37
CYP19A1 P11511 1/20 0.37
EIF4E P06730 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
CYP2D6 P10635 1/20 0.35
MAOA P21397 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
SCN4A P35499 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL7434493 0.89 ATP4A (0.59) HTR2CATP4AATP4BNPC1RAB9A
SCHEMBL7432599 0.83 HTR2C (0.60) HTR2CATP4AATP4BRORCNUDT1
SCHEMBL7440079 0.78 PKM (0.47) ATP4AATP4BRORCIDO1CYP19A1
SCHEMBL7441516 0.77 MPL (0.58) ATP4AATP4BNPC1RAB9AL3MBTL1
SCHEMBL474398 0.76 MPL (0.54) HTR2CATP4AATP4BNUDT1NPC1
SCHEMBL7435953 0.76 ALDH1A1 (0.42) ATP4AATP4BRAB9AALDH1A1LMNA
SCHEMBL7431101 0.75 HTR2C (0.52) HTR2CATP4AATP4BRORCNUDT1
SCHEMBL7437724 0.75 ATP4A (0.61) ATP4AATP4BNPC1RAB9ACYP19A1
SCHEMBL7438579 0.74 MAPT (0.51) NPC1RAB9AL3MBTL1CYP19A1MAPK1
SCHEMBL7434501 0.73 ALOX5 (0.50) NPC1RAB9AEIF4EBLMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed