SCHEMBL8829693

SCHEMBL8829693

C=C(Cl)CN(CCCC)C(=S)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.58
ERBB2 P04626 3/20 0.58
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.44
LMNA P02545 3/20 0.43
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL5449574 0.87 EGFR (0.68) EGFRERBB2MAPTHTTCYP1A2
SCHEMBL8829691 0.82 ALDH1A1 (0.54) ALDH1A1LMNA
SCHEMBL17956765 0.81 EGFR (0.61) EGFRERBB2MAPTHTTCYP1A2
SCHEMBL5455537 0.79 ALDH1A1 (0.69) EGFRERBB2MAPTHTTALDH1A1
SCHEMBL5464300 0.77 ALDH1A1 (0.66) EGFRERBB2MAPTCYP1A2ALDH1A1
SCHEMBL11413264 0.74 CA12 (0.40) EGFRERBB2
SCHEMBL8829676 0.74 ALDH1A1 (0.38) MAPTHTTALDH1A1CYP3A4LMNA
SCHEMBL5444750 0.72 MAPK1 (0.67) MAPTCYP1A2ALDH1A1MAPK1LMNA
SCHEMBL2448810 0.70 HDAC6 (0.65) EGFRHTTALDH1A1HDAC3HDAC4
SCHEMBL8829689 0.70 HPGD (0.39) EGFRMAPTALDH1A1LMNAHDAC3

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
US-5463069-A Process of producing 2-iminothiazoline derivatives and process of producing their intermediates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-31 US claimed
US-5684196-A N-SUBSTITUTED-N-ARYLCYANAMIDE SUMITOMO CHEMICAL CO., LTD. (JP) 1997-11-04 US disclosed
US-5648533-A Process of producing 2-iminothiazoline derivatives and process of producing their intermediates SUMITOMO CHEMICAL CO., LTD. (JP) 1997-07-15 US disclosed
EP-0600489-B1 Process for producing 2-iminothiazoline derivatives and process for producing their intermediates SUMITOMO CHEMICAL CO (JP) 1996-11-06 EP disclosed
US-5463069-A Process of producing 2-iminothiazoline derivatives and process of producing their intermediates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-31 US disclosed
EP-0600489-A1 Process for producing 2-iminothiazoline derivatives and process for producing their intermediates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-06-08 EP disclosed