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SCHEMBL16627612

SCHEMBL16627612

COC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 1.00
▸ LMNA P02545 2/20 0.44
▸ P2RX4 Q99571 2/20 0.42
▸ CNR2 P34972 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SRC P12931 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ PRKACG P22612 1/20 0.41
▸ PRKACB P22694 1/20 0.41
▸ NOX4 Q9NPH5 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40

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
SCHEMBL16627605 0.81 P2RX7 (0.77) P2RX7
SCHEMBL16627607 0.81 P2RX7 (0.79) P2RX7CNR2KMT2AP2RX2ALDH1A1
SCHEMBL16627793 0.80 P2RX7 (0.80) P2RX7LMNAP2RX4
SCHEMBL16627794 0.78 P2RX7 (0.77) P2RX7LMNAP2RX4
SCHEMBL16627907 0.77 P2RX7 (0.79) P2RX7P2RX4
SCHEMBL16627908 0.77 P2RX7 (0.91) P2RX7P2RX4CNR2KMT2A
SCHEMBL16627903 0.76 P2RX7 (0.81) P2RX7P2RX4
SCHEMBL16627904 0.76 P2RX7 (0.77) P2RX7P2RX4CNR2
SCHEMBL16627672 0.76 P2RX7 (0.76) P2RX7P2RX4P2RX2
SCHEMBL16627901 0.74 P2RX7 (0.78) P2RX7P2RX4

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