SCHEMBL16796643

SCHEMBL16796643

O=C1CN=C(c2cccc(NCc3ccccc3)c2)c2[nH]c3ccccc3c2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
APP P05067 1/20 0.41
P2RX4 Q99571 1/20 0.40
AURKA O14965 1/20 0.38
NR1H2 P55055 5/20 0.38
NR1H3 Q13133 5/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 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
SCHEMBL16796715 0.85 P2RX4 (0.42) P2RX4ALDH1A1SMN1; SMN2GABRA1GABRG2
SCHEMBL16796578 0.82 P2RX4 (0.43) P2RX4ALDH1A1SMN1; SMN2GABRA1GABRG2
SCHEMBL16796602 0.82 P2RX4 (0.43) P2RX4ALDH1A1SMN1; SMN2GABRA1GABRG2
SCHEMBL16812977 0.81 GABRA1 (0.51) P2RX4KDM4EALDH1A1HPGDHTT
SCHEMBL16796629 0.81 KMT2A (0.50) AURKAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL16796597 0.81 MMP2 (0.49) P2RX4ALDH1A1HPGDHTTMAPT
SCHEMBL16796604 0.80 P2RX4 (0.41) P2RX4ALDH1A1HTTSMN1; SMN2GABRA1
SCHEMBL16796688 0.80 P2RX4 (0.47) P2RX4KDM4EALDH1A1HPGDHTT
SCHEMBL16813007 0.79 P2RX4 (0.62) P2RX4HTTSMN1; SMN2GABRA1GABRG2
SCHEMBL16796615 0.79 P2RX4 (0.46) P2RX4AURKAKDM4ENPC1ALDH1A1

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