SCHEMBL8829773

SCHEMBL8829773

Cc1sc(=N)n(-c2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.50
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 3/20 0.42
THRB P10828 2/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL6315486 0.75 NOTUM (0.59) NOTUMCYP1A2ALDH1A1THRBBRD9
SCHEMBL8428297 0.75 HTT (0.43) NOTUMCYP1A2ALDH1A1THRBHTR3E
Hydrochloric Acid SCHEMBL7971305 0.74 HTT (0.43) NOTUMCYP1A2ALDH1A1THRBHTR3E
SCHEMBL13471704 0.73 NOTUM (0.65) NOTUMCYP1A2ALDH1A1THRBBRD9
SCHEMBL1728312 0.70 CYP1A2 (0.51) NOTUMCYP1A2ALDH1A1BRD9GAA
SCHEMBL14154502 0.70 NOTUM (0.60) NOTUMCYP1A2ALDH1A1THRBCYP2C19
SCHEMBL17537376 0.70 CYP1A2 (0.58) NOTUMCYP1A2ALDH1A1THRBBRD9
SCHEMBL4293579 0.69 CYP1A2 (0.57) NOTUMCYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL17931794 0.69 CYP1A2 (0.57) NOTUMCYP1A2ALDH1A1BRD9MAPT
SCHEMBL8010810 0.69 HTT (0.41) NOTUMALDH1A1THRBBRD9HTR3E

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 12 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
CN-1125045-C Process for producing intermecliates used in process for producing-2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 2003-10-22 CN disclosed
CN-1073099-C Process for producing intermecliates used in process for producing 2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 2001-10-17 CN disclosed
CN-1228420-A Process for producing intermecliates used in process for producing-2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 1999-09-15 CN disclosed
CN-1225363-A Process for producing intermediate in process for producing 2-iminothiazoline derivative SUMITOMO CHEMICAL CO (JP) 1999-08-11 CN disclosed
CN-1042224-C Process for preparing 2-iminothiazoline derivatives SUMITOMO CHEMICAL CO (JP) 1999-02-24 CN disclosed
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
CN-1097007-A Process for preparing 2-iminothiazoline derivatives and process for preparing intermediates thereof SUMITOMO CHEMICAL CO (JP) 1995-01-04 CN 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