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SCHEMBL16627910

SCHEMBL16627910

COc1ccc(Cn2c(=O)ccc3c(NC(=O)CC4(C)CC5CC(CC(C)(Cl)C5)C4)cccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 14/20 0.58
▸ P2RX3 P56373 1/20 0.44
▸ P2RX4 Q99571 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ S1PR2 O95136 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
SCHEMBL16627864 0.92 P2RX7 (0.60) P2RX7P2RX3P2RX4HDAC1MAPT
SCHEMBL16627867 0.86 P2RX7 (0.52) P2RX7P2RX3P2RX4HDAC1MAPT
SCHEMBL16627863 0.84 P2RX7 (0.49) P2RX7P2RX4HDAC1LMNATP53
SCHEMBL16627629 0.83 P2RX7 (0.60) P2RX7P2RX3P2RX4HDAC1MAPT
SCHEMBL16627903 0.82 P2RX7 (0.81) P2RX7P2RX3P2RX4HDAC1MAPT
SCHEMBL16627862 0.80 P2RX7 (0.51) P2RX7P2RX4HDAC1MAPTLMNA
SCHEMBL16627901 0.80 P2RX7 (0.78) P2RX7P2RX3P2RX4HDAC1MAPT
SCHEMBL16627913 0.78 P2RX7 (0.52) P2RX7P2RX4HDAC1
SCHEMBL16627628 0.78 P2RX7 (0.67) P2RX7P2RX3P2RX4HDAC1
SCHEMBL16627866 0.77 P2RX7 (0.49) P2RX7P2RX4HDAC1

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