SCHEMBL22452822

SCHEMBL22452822

CN(c1ccc(Nc2cccc(C(=O)O)n2)cn1)c1ccc(C2CCCCC2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
AURKA O14965 1/20 0.35
ABL1 P00519 2/20 0.34
EGLN1 Q9GZT9 2/20 0.34
KMO O15229 1/20 0.34
SYK P43405 2/20 0.34
NR3C1 P04150 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL22453723 0.89 CYP1A2 (0.35) DHODHKMT2ASMN1; SMN2
SCHEMBL22453294 0.86 KDM4E (0.41) DHODHKDM4EGLAHTTKMT2A
SCHEMBL22453086 0.80 SERPINE1 (0.35) DHODHKDM4EGLAHTTKMT2A
SCHEMBL22453348 0.76 KMT2A (0.42) DHODHKDM4EGLAHTTKMT2A
SCHEMBL22453585 0.75 CYP1A2 (0.38) KDM4EHTTKMT2ASMN1; SMN2L3MBTL1
SCHEMBL22453088 0.74 DHODH (0.42) DHODHKDM4EGLAHTTKMT2A
SCHEMBL22452775 0.73 KDM4E (0.42) DHODHKDM4EGLAHTTKMT2A
SCHEMBL22453642 0.72 KDM4C (0.40) DHODHKDM4EGLAHTTKMT2A
SCHEMBL22453373 0.72 PSMB5 (0.38) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL22452777 0.70 KMT2A (0.50) KDM4EGLAHTTKMT2ASMN1; SMN2

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
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed