SCHEMBL28074115

SCHEMBL28074115

COc1cnc(Cl)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
AURKA O14965 2/20 0.38
KDR P35968 2/20 0.38
AURKB Q96GD4 2/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
DHFR P00374 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LRRK2 Q5S007 3/20 0.35
HTR2B P41595 1/20 0.35
TRPA1 O75762 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL31381950 0.85 AURKA (0.41) HTR2AHTR2CAURKAKDRAURKB
SCHEMBL17813878 0.81 HTR2A (0.42) HTR2AHTR2CAURKAKDRAURKB
SCHEMBL29878050 0.78 HTR2A (0.40) HTR2AHTR2CAURKAKDRAURKB
SCHEMBL19366817 0.76 HTR2A (0.39) HTR2AHTR2CAURKAKDRAURKB
SCHEMBL17808241 0.76 HTR2A (0.39) HTR2AHTR2CAURKAKDRAURKB
SCHEMBL2355586 0.76 ASPH (0.38) PIK3R1PIK3CA
SCHEMBL29091803 0.76 AKR1C3 (0.34) PIK3R1PIK3CALRRK2MAPTAAK1
SCHEMBL23912507 0.76 ALDH1A1 (0.47) AURKADHFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL3840400 0.76 PIK3R1 (0.42) PIK3R1PIK3CAKDM4EALDH1A1SMN1; SMN2
SCHEMBL15005974 0.75 ALDH1A1 (0.39) HTR2AHTR2CDHFRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452218-A Pyridinylimidazoles ketone as herbicide SYNGENTA PARTICIPATIONS AG 2019-11-15 CN disclosed
CN-105658637-A Pyridylimidazolones as herbicides 先正达参股股份有限公司 2016-06-08 CN disclosed