SCHEMBL9218976

SCHEMBL9218976

CCSCCc1[nH]nc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.38
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOD2 Q9HC29 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL9217403 0.84 KDM4E (0.47) MAPTKMT2AHTTSMN1; SMN2KDM4E
SCHEMBL9115479 0.82 HCAR2 (0.55) HCAR2MAPTKMT2AMEN1LMNA
SCHEMBL3451427 0.81 HCAR2 (0.49) HCAR2MAPTKMT2ALMNAKDM4E
SCHEMBL8803433 0.78 HCAR2 (0.36) HCAR2
SCHEMBL1864417 0.76 HCAR2 (0.35) HCAR2MAPTKMT2AKDM4EPOLB
SCHEMBL9211802 0.74 HCAR2 (0.34) HCAR2MAPTKMT2AKDM4EPOLB
SCHEMBL20911 0.72 HCAR2 (0.43) HCAR2MAPTKMT2AKDM4EPOLB
SCHEMBL14822491 0.69 KDM4E (0.45) HCAR2MAPTKMT2AKDM4EPOLB
SCHEMBL9116717 0.67 HCAR2 (0.40) HCAR2MAPTKMT2AKDM4EPOLB
SCHEMBL9219638 0.67 ALDH1A1 (0.40) MAPTKMT2AMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP disclosed