SCHEMBL4602848

SCHEMBL4602848

CN(C(=O)Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.45
HDAC6 Q9UBN7 2/20 0.40
ESR1 P03372 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.39
GPBAR1 Q8TDU6 3/20 0.38
TACR1 P25103 2/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL25076165 0.84 TSPO (0.47) POLQHDAC6ESR1GAALMNA
SCHEMBL2088431 0.84 POLQ (0.46) POLQHDAC6ESR1GAALMNA
SCHEMBL2088432 0.84 POLQ (0.50) POLQHDAC6ESR1GAALMNA
SCHEMBL5476758 0.82 POLQ (0.45) POLQHDAC6ESR1GAALMNA
SCHEMBL20560739 0.81 LMNA (0.42) POLQESR1GAALMNANFKB1
SCHEMBL31222332 0.81 TACR1 (0.46) POLQHDAC6ESR1GAALMNA
SCHEMBL11309832 0.79 POLQ (0.50) POLQHDAC6ESR1GAALMNA
SCHEMBL13041529 0.79 POLQ (0.50) POLQHDAC6ESR1GAALMNA
SCHEMBL2754139 0.79 POLQ (0.43) POLQHDAC6ESR1GAALMNA
SCHEMBL28595013 0.79 LMNA (0.40) POLQESR1GAALMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940783-A1 PROCESS FOR PREPARING N, N-SUBSTITUTED CARBAMOYL HALIDES GLAXO GROUP LIMITED (GB) 2008-07-09 EP disclosed
WO-2007048642-A1 PROCESS FOR PREPARING N, N-SUBSTITUTED CARBAMOYL HALIDES GLAXO GROUP LIMITED (GB) 2007-05-03 WO disclosed
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed
US-5312820-A Angiotensin antagonist for treatment of hypertension MERCK & CO., INC. (US) 1994-05-17 US disclosed