SCHEMBL28128641

SCHEMBL28128641

NC(=O)c1ccc2cc(C(F)(F)F)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.43
P2RY14 Q15391 1/20 0.42
LCK P06239 1/20 0.42
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL12804260 0.87 MMP2 (0.49) CHEK2P2RY14LCKPKN1PKN2
SCHEMBL24950452 0.85 SMN1; SMN2 (0.55) CHEK2P2RY14SMN1; SMN2CASP3SENP8
SCHEMBL30201440 0.85 SMN1; SMN2 (0.55) CHEK2P2RY14SMN1; SMN2CASP3SENP8
SCHEMBL30344312 0.76 PLG (0.55) CHEK2LCKPKN1PKN2PLG
SCHEMBL27279095 0.76 LCK (0.52) CHEK2LCKPKN1PKN2PLG
SCHEMBL10053488 0.75 CHEK2 (0.49) CHEK2LCKPKN1PKN2PLG
SCHEMBL2977967 0.74 KDM4E (0.53) SMN1; SMN2
SCHEMBL327063 0.73 HSD17B10 (0.56) CHEK2LCKPLGPLAUCASP3
Hydrochloric Acid SCHEMBL8915608 0.73 ALDH1A1 (0.68) LCK
SCHEMBL4435557 0.73 LCK (0.47) CHEK2LCKPKN1PKN2PLG

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
CN-106478500-A Carboxylic acid-substituted(Miscellaneous)Aromatic ring analog derivative and its production and use 广东东阳光药业有限公司 2017-03-08 CN disclosed