SCHEMBL17488073

SCHEMBL17488073

Nc1nc2cc(NC3COC3)ccc2n1CCOc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.57
NOD1 Q9Y239 1/20 0.57
KMT2A Q03164 3/20 0.44
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
BACE1 P56817 7/20 0.42
NUDT1 P36639 1/20 0.42
HTT P42858 4/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL17488074 0.92 CXCL8 (0.57) CXCL8NOD1KMT2ATP53SMN1; SMN2
SCHEMBL18960394 0.86 SMN1; SMN2 (0.40) CXCL8NOD1KMT2ATP53SMN1; SMN2
SCHEMBL18965837 0.78 SMN1; SMN2 (0.40) CXCL8NOD1TP53SMN1; SMN2HTT
SCHEMBL17488298 0.77 SOS1 (0.46) CXCL8NOD1KMT2AHTTALDH1A1
SCHEMBL17488296 0.72 P2RX3 (0.41) CXCL8NOD1
SCHEMBL17488075 0.67 KMT2A (0.52) CXCL8NOD1KMT2ATP53BACE1
SCHEMBL15595340 0.66 BACE1 (0.64) CXCL8NOD1KMT2ATP53BACE1
SCHEMBL17487511 0.65 CXCL8 (0.53) CXCL8NOD1KMT2ATP53SMN1; SMN2
SCHEMBL18965766 0.65 NPC1 (0.50) KMT2ATP53SMN1; SMN2HTTLMNA
SCHEMBL17488072 0.65 CXCL8 (0.43) CXCL8NOD1KMT2A

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-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed