SCHEMBL27641822

SCHEMBL27641822

CC(=O)N(F)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.49
▸ MTNR1B P49286 2/20 0.49
▸ PARP1 P09874 1/20 0.40
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HSD17B3 P37058 1/20 0.37

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
SCHEMBL27641818 0.81 CES2 (0.45) PARP1CRHBPCRHR2ALDH1A1GAA
SCHEMBL27831317 0.79 ALDH1A1 (0.53) PARP1CRHBPCRHR2ALDH1A1GAA
SCHEMBL2378380 0.79 MTNR1A (0.48) MTNR1AMTNR1BPARP1ALDH1A1L3MBTL1
SCHEMBL28760865 0.78 HTR3E (0.46) PARP1ALDH1A1GAAL3MBTL1MEN1
SCHEMBL28980326 0.78 MTNR1A (0.47) MTNR1AMTNR1BPARP1ALDH1A1GAA
SCHEMBL27662346 0.76 CYP1A2 (0.39) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL1635424 0.76 NPSR1 (0.46) MTNR1AMTNR1BCRHBPCRHR2ALDH1A1
SCHEMBL2083223 0.75 MTNR1A (0.48) MTNR1AMTNR1BPARP1ALDH1A1GAA
SCHEMBL27662593 0.75 MTNR1A (0.54) MTNR1AMTNR1BPARP1MEN1KMT2A
SCHEMBL27904469 0.75 MTNR1A (0.44) MTNR1AMTNR1BPARP1CRHBPCRHR2

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
CN-101270097-B Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO BOSEKI 2011-04-13 — — CN disclosed
CN-100424069-C Preparation method of N-aryl-2, 2, 2-trifluoro acetimidoyl chloride TOYO KASEI KOGYO CO LTD (JP) 2008-10-08 — — CN disclosed
CN-101270097-A Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO KASEI KOGYO CO LTD (JP) 2008-09-24 — — CN disclosed
CN-1863765-A Preparation method of 1-aryl-5- (trifluoromethyl) -1H-tetrazole TOYO KASEI KOGYO CO LTD (JP) 2006-11-15 — — CN disclosed
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