SCHEMBL21913809

SCHEMBL21913809

Cc1ccc(Nc2ccccc2)c(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 1/20 0.44
CXCR2 P25025 3/20 0.42
GAA P10253 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
ALK Q9UM73 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
DHODH Q02127 2/20 0.39
PTGER4 P35408 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
SCHEMBL17454719 0.95 PTGER4 (0.43) NPSR1HPGDCXCR2GAAALK
SCHEMBL18767461 0.93 NPSR1 (0.46) NPSR1HPGDCXCR2GAASIRT2
SCHEMBL21913009 0.91 NPSR1 (0.50) NPSR1HPGDGAASIRT2SIRT1
SCHEMBL21913591 0.90 HPGD (0.50) NPSR1HPGDCXCR2GAANPC1
SCHEMBL1931336 0.86 NPSR1 (0.53) NPSR1HPGDGAAALKMAPT
SCHEMBL24174910 0.85 NPSR1 (0.59) NPSR1HPGDGAAMAPTMEN1
SCHEMBL17661366 0.85 NPSR1 (0.51) NPSR1SIRT2SIRT1ALKMAPT
SCHEMBL18767471 0.83 SIRT2 (0.47) NPSR1HPGDGAASIRT2SIRT1
SCHEMBL17661457 0.83 ALK (0.47) NPSR1HPGDGAASIRT2SIRT1
SCHEMBL17660874 0.83 NPSR1 (0.47) NPSR1HPGDGAAALKNPC1

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-3640252-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2020-04-22 EP disclosed