SCHEMBL8996041

SCHEMBL8996041

N#CCC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
HTT P42858 4/20 0.59
LMNA P02545 3/20 0.59
HSD17B10 Q99714 3/20 0.59
NPC1 O15118 3/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 4/20 0.59
USP30 Q70CQ3 1/20 0.56
KCNJ5 P48544 1/20 0.56
KCNJ3 P48549 1/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
RAB9A P51151 2/20 0.54
EPHX2 P34913 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL21972740 0.84 NPC1 (0.59) MAPTHTTLMNANPC1MEN1
SCHEMBL9819103 0.83 ACP1 (0.53) MAPTHTTHSD17B10MEN1KMT2A
SCHEMBL5141417 0.83 MEN1 (0.71) MAPTHTTLMNAHSD17B10NPC1
SCHEMBL8650426 0.82 HTT (0.61) MAPTHTTHSD17B10MEN1KMT2A
SCHEMBL11421956 0.81 HTT (0.59) MAPTHTTLMNAHSD17B10NPC1
SCHEMBL8623425 0.81 HSD17B10 (0.63) HTTHSD17B10NPC1MEN1KMT2A
SCHEMBL14517868 0.81 HSD17B10 (0.59) HTTLMNAHSD17B10MEN1KMT2A
SCHEMBL1260084 0.81 KMT2A (0.70) MAPTHTTLMNAHSD17B10NPC1
SCHEMBL9320423 0.80 CA1 (0.56) MAPTHTTLMNAHSD17B10MEN1
SCHEMBL1618221 0.80 ALDH1A1 (0.64) MAPTHTTLMNAHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537742-B1 Styrene derivatives MITSUBISHI CHEM CORP (JP) 1996-08-21 EP disclosed
US-5514711-A ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-07 US disclosed
EP-0537742-A2 Styrene derivatives Mitsubishi Chemical Corporation (JP) 1993-04-21 EP disclosed
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed
EP-0209028-A2 Use of the 3-iminoisoindoline derivatives, and 3-iminoisoindoline derivatives BASF Aktiengesellschaft (DE) 1987-01-21 EP disclosed
US-4438092-A 5-Amino-N-(3-chloro- 2-methyl-, or 2-fluorophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamides and use as an anti-convulsant WARNER-LAMBERT COMPANY (US) 1984-03-20 US disclosed
US-4346097-A ANTIEPILEPTIC WARNER-LAMBERT COMPANY (US) 1982-08-24 US disclosed