SCHEMBL28084686

SCHEMBL28084686

Clc1ccccc1C1C=CC=CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
TP53 P04637 2/20 0.38
RECQL P46063 1/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KLK3 P07288 1/20 0.33
AR P10275 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
GAA P10253 1/20 0.32
AGTR1 P30556 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL30704940 0.78 HTR2C (0.40) HTR2AHTR2CHTR2BTAAR1TSHR
SCHEMBL29661182 0.78 HTR2C (0.40) HTR2AHTR2CHTR2BTAAR1TSHR
SCHEMBL29859210 0.78 GAA (0.39) DPP4TP53HTR2AHTR2CHTR2B
SCHEMBL13782207 0.77 GAPDH (0.31)
SCHEMBL16491843 0.77 KDM1A (0.40) HTR2AHTR2CHTR2BSMN1; SMN2LMNA
SCHEMBL13782147 0.77 GAPDH (0.31)
SCHEMBL28064123 0.77 KDM1A (0.41) HTR2CHTR2BARKDM1ARCOR1
SCHEMBL12992673 0.77 CYP3A4 (0.33) DPP4SMN1; SMN2
SCHEMBL12666370 0.77 CYP3A4 (0.33) DPP4SMN1; SMN2
SCHEMBL27834350 0.77 KDM1A (0.41) HTR2CHTR2BARKDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109661175-A For handling the Aquo-composition of seed, with the seed of its processing and the method for handling seed 科思创有限公司 2019-04-19 CN disclosed
CN-109561675-A Method for treating seeds with an aqueous composition and seeds treated thereby 科思创有限公司 2019-04-02 CN disclosed
CN-109475116-A For handling the Aquo-composition of seed, with the seed of its processing and the method for handling seed 科思创有限公司 2019-03-15 CN disclosed
CN-105837564-B One kind benzothiazepines containing pyridine derivative, preparation method and the usage 贵州大学 2019-02-05 CN disclosed
CN-105837564-A Pyridine-containing benzothiazepine derivatives, and preparation method and application thereof 贵州大学 2016-08-10 CN disclosed