SCHEMBL9521389

SCHEMBL9521389

O=C(Nc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.57
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 1/20 0.54
P2RX7 Q99572 7/20 0.48
P2RX4 Q99571 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9521787 0.87 P2RX7 (0.43) CNR2KMT2ANPSR1MEN1P2RX7
SCHEMBL1549023 0.73 P2RX7 (0.73) CNR2NPSR1P2RX7ALDH1A1MAPT
SCHEMBL9521940 0.73 EPHX2 (0.42) CNR2KMT2ANPSR1MEN1P2RX7
SCHEMBL11822463 0.73 P2RX7 (0.74) CNR2KMT2ANPSR1MEN1P2RX7
SCHEMBL9124942 0.72 ALDH1A1 (0.59) KMT2ANPSR1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL9123251 0.72 GAA (0.62) KMT2AALDH1A1MAPTGAATDP1
SCHEMBL993395 0.72 CNR2 (0.63) CNR2KMT2ANPSR1MEN1P2RX7
SCHEMBL9127786 0.70 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL9124861 0.70 KMT2A (0.60) CNR2KMT2ANPSR1MEN1ALDH1A1
SCHEMBL14503273 0.70 SMN1; SMN2 (0.66) CNR2KMT2ANPSR1MEN1P2RX7

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
EP-0395093-B1 TRIPHENYLMETHANE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-01 EP disclosed