SCHEMBL16627617

SCHEMBL16627617

COc1ccc(Cn2c(=O)ccc3c([N+](=O)[O-])cccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 2/20 0.60
P2RX4 Q99571 2/20 0.54
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
CCR2 P41597 1/20 0.45
PDE5A O76074 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL16627606 0.80 P2RX4 (0.59) P2RX4KMT2ASMN1; SMN2POLBGAA
SCHEMBL13737524 0.80 P2RX4 (0.59) P2RX4KMT2ASMN1; SMN2POLBGAA
SCHEMBL16627805 0.79 CCR2 (0.54) DCTPP1P2RX4KMT2APOLBGAA
SCHEMBL16627618 0.77 P2RX4 (0.55) P2RX4KMT2ASMN1; SMN2POLBGAA
SCHEMBL3287293 0.77 DCTPP1 (0.58) DCTPP1P2RX4KMT2ASMN1; SMN2MAPT
SCHEMBL17671362 0.75 DCTPP1 (1.00) DCTPP1P2RX4SMN1; SMN2POLBGAA
SCHEMBL17671384 0.75 DCTPP1 (0.79) DCTPP1P2RX4KMT2ASMN1; SMN2POLB
SCHEMBL27946553 0.74 KMT2A (0.73) P2RX4KMT2ASMN1; SMN2POLBGAA
SCHEMBL17671330 0.74 DCTPP1 (0.76) DCTPP1P2RX4KMT2ASMN1; SMN2POLB
SCHEMBL16131554 0.73 DCTPP1 (0.57) DCTPP1P2RX4KMT2ASMN1; SMN2POLB

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