SCHEMBL8666896

SCHEMBL8666896

Cc1nc(C(C(=O)O)C(F)(F)F)c(-c2ccc(-c3ccccc3)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DHODH Q02127 5/20 0.40
PDE2A O00408 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NTRK1 P04629 1/20 0.36
PTGS2 P35354 1/20 0.36
PIN1 Q13526 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
SCHEMBL8666701 0.79 KDM4E (0.44) KDM4EHPGDSMN1; SMN2DHODHPDE2A
SCHEMBL8666901 0.68 PTGS2 (0.42) DHODHGAAKMT2AMEN1PTGS2
SCHEMBL5763126 0.67 KDM4E (0.58) KDM4EHPGDSMN1; SMN2DHODHALDH1A1
SCHEMBL8666893 0.67 PTGS2 (0.39) DHODHGAAKMT2AMEN1PTGS2
SCHEMBL8666707 0.67 COMT (0.42) DHODHKMT2APTGS2
SCHEMBL24427668 0.65 KDM4E (0.54) KDM4EHPGDSMN1; SMN2DHODHALDH1A1
SCHEMBL5850257 0.64 KDM4E (0.68) KDM4EHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL3435446 0.63 PTPN5 (0.46) PTGS2
SCHEMBL1068923 0.63 KDM4E (1.00) KDM4EHPGDSMN1; SMN2ALDH1A1GLA
Methyl Alcohol SCHEMBL5139174 0.63 SRC (0.46) KMT2AMEN1

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
US-5811445-A ANGIOTENSIN II INHIBITORS ROUSSEL UCLAF (FR) 1998-09-22 US disclosed