SCHEMBL16627635

SCHEMBL16627635

C=Cc1ccc(C(=O)Nc2cccc3c2cc(C(=O)Nc2ccc(Br)cc2)c(=O)n3CC/C(S)=C/C)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
ATM Q13315 1/20 0.38
P2RX7 Q99572 1/20 0.38
TP53 P04637 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOB P27338 1/20 0.34
AHR P35869 1/20 0.34
HDAC1 Q13547 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL16627877 0.78 MAPT (0.47) KMT2AMEN1P2RX7TP53SMN1; SMN2
SCHEMBL16627814 0.75 F10 (0.48) KMT2AMEN1ATMTP53RXFP1
SCHEMBL16627876 0.74 RXFP1 (0.44) KMT2AMEN1TP53RXFP1RAB9A
SCHEMBL16627681 0.70 NPY5R (0.45) KMT2AMEN1P2RX7RXFP1SMN1; SMN2
SCHEMBL16627691 0.69 AHR (0.42) KMT2AMEN1RXFP1RAB9AMAOB
SCHEMBL16627759 0.69 NPY5R (0.47) KMT2AMEN1P2RX7TP53SMN1; SMN2
SCHEMBL16627880 0.69 HDAC1 (0.47) KMT2AMEN1P2RX7TP53SMN1; SMN2
SCHEMBL16627749 0.68 MEN1 (0.58) KMT2AMEN1P2RX7TP53RXFP1
SCHEMBL16627588 0.67 AHR (0.41) KMT2AMEN1P2RX7TP53RXFP1
SCHEMBL16627803 0.66 F10 (0.47) KMT2AMEN1P2RX7TP53RXFP1

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed