SCHEMBL432728

SCHEMBL432728

C[CH]CCc1ccc(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.38
HTR2A P28223 5/20 0.37
SLC6A4 P31645 5/20 0.37
KCNH2 Q12809 4/20 0.37
TP53 P04637 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 3/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL27457532 0.82 SLC6A4 (0.41) CXCR3HTR2ASLC6A4KCNH2TP53
SCHEMBL434184 0.81 IDO1 (0.50) HTR2ASLC6A4KCNH2IDO1HTR2C
SCHEMBL432703 0.81 IDO1 (0.50) ALDH1A1IDO1
SCHEMBL8508177 0.79 TAAR1 (0.37) IDO1
SCHEMBL9921231 0.79 KCNH2 (0.45) CXCR3HTR2ASLC6A4KCNH2TP53
SCHEMBL435685 0.78 SLC6A4 (0.37) CXCR3HTR2ASLC6A4KCNH2TP53
Ammonia Solution, Strong SCHEMBL6194413 0.77 KCNH2 (0.44) CXCR3HTR2ASLC6A4KCNH2TP53
SCHEMBL8507184 0.77 SLC6A4 (0.40) HTR2ASLC6A4KCNH2TP53ALDH1A1
SCHEMBL4392149 0.76 TAAR1 (0.50) CXCR3HTR2ATP53HTR1AHTR7
SCHEMBL18482277 0.76 HTR2A (0.41) CXCR3HTR2ASLC6A4KCNH2TP53

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-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
CN-1119337-C Substituted 2, 4-diamino-1, 3, 5-triazines as herbicides BAYER AG (DE) 2003-08-27 CN disclosed
CN-1239955-A Substituted 2, 4-diamino-1, 3, 5-triazines as herbicides BAYER AG (DE) 1999-12-29 CN disclosed
CN-1239957-A Substituting 2-amino-4-alkylamino-1,3,5-triazine as herbicide BAYER AG (DE) 1999-12-29 CN disclosed