SCHEMBL16796629

SCHEMBL16796629

O=C1CN=C(c2cccc(NC(=O)c3ccccc3)c2)c2[nH]c3ccccc3c2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
POLB P06746 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
COMT P21964 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
ATM Q13315 1/20 0.45
BRD4 O60885 1/20 0.45
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL16796681 0.86 MAPK1 (0.47) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL16796574 0.83 P2RX4 (0.43) KMT2ASMN1; SMN2MAPTBRD4MAPK1
SCHEMBL16796568 0.82 KIF11 (0.46) KMT2AMEN1ALDH1A1
SCHEMBL16796643 0.81 METAP2 (0.44) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL16812977 0.81 GABRA1 (0.51) KDM4EALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL16796597 0.80 MMP2 (0.49) KMT2APOLBMEN1ALDH1A1MMP2
SCHEMBL16796623 0.80 P2RX4 (0.43) KMT2AALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL16813008 0.80 P2RX4 (0.46) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL16796688 0.79 P2RX4 (0.47) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL16796622 0.78 P2RX4 (0.43) KMT2AALDH1A1SMN1; SMN2MAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015088565-A1 P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
WO-2015088565-A1 P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed