SCHEMBL22453348

SCHEMBL22453348

O=C(O)c1cccc(Nc2cccc(Nc3ccc(C4CCCCC4)cc3Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHODH Q02127 6/20 0.41
SERPINE1 P05121 2/20 0.41
EGLN1 Q9GZT9 2/20 0.40
KMO O15229 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL22452817 0.90 KDM1A (0.42) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL22453088 0.89 DHODH (0.42) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL22452933 0.89 P2RX3 (0.39) SMN1; SMN2DHODHSERPINE1EGLN1PTGES
SCHEMBL22453062 0.79 DHODH (0.52) KMT2AHTTSMN1; SMN2HIF1ATDP1
SCHEMBL22452937 0.78 DHODH (0.40) KMT2ADHODHMEN1ALDH1A1
SCHEMBL22453086 0.76 SERPINE1 (0.35) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL22453372 0.76 GAA (0.49) KMT2AKDM4EHTTSMN1; SMN2TDP1
SCHEMBL22452985 0.76 SERPINE1 (0.43) KMT2AKDM4ESMN1; SMN2HIF1ASERPINE1
SCHEMBL22453293 0.76 PTGES (0.43) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL22453059 0.75 AKR1C3 (0.57) KMT2ADHODHSERPINE1KMOMEN1

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