SCHEMBL9794866

SCHEMBL9794866

CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1N2C(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.49
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 10/20 0.38
MEN1 O00255 8/20 0.38
MAPT P10636 8/20 0.38
KMT2A Q03164 8/20 0.38
HPGD P15428 5/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 1/20 0.38
P2RX1 P51575 1/20 0.38
KDM4E B2RXH2 4/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
ATM Q13315 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL29625793 1.00 P2RX4 (0.49) P2RX4CA12CA9ALDH1A1MEN1
SCHEMBL9009797 0.87 MAPT (0.48) P2RX4CA12CA9ALDH1A1MEN1
SCHEMBL10953413 0.86 P2RX4 (0.40) P2RX4CA12CA9ALDH1A1MEN1
SCHEMBL10955890 0.85 P2RX4 (0.40) P2RX4CA12CA9ALDH1A1MEN1
SCHEMBL10950939 0.85 CA12 (0.40) P2RX4CA12CA9ALDH1A1MEN1
SCHEMBL10485311 0.83 P2RX4 (0.54) P2RX4CA12CA9ALDH1A1MEN1
SCHEMBL11303496 0.83 P2RX4 (0.43) P2RX4CA12CA9ALDH1A1MEN1
SCHEMBL11319032 0.82 P2RX4 (0.40) P2RX4CA12CA9ALDH1A1MEN1
SCHEMBL29435150 0.81 P2RX4 (0.56) P2RX4ALDH1A1MEN1MAPTKMT2A
SCHEMBL7007991 0.81 P2RX4 (0.56) P2RX4ALDH1A1MEN1MAPTKMT2A

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
US-4981775-A Containing a redox system of dye-releasing compounds, silver halide and organic silver compound; clarity; colorfastness MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-01-01 US disclosed
EP-0350202-A2 Photothermographic elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-01-10 EP disclosed