SCHEMBL11277624

SCHEMBL11277624

Cc1ccc2c(c1)c1oc(-c3nnn[nH]3)cc(=O)c1n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.36
MAPT P10636 6/20 0.36
MAPK1 P28482 3/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
APAF1 O14727 1/20 0.36
PKM P14618 1/20 0.36
IDO1 P14902 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ALDH1A1 P00352 7/20 0.32
HPGD P15428 4/20 0.32
HSD17B10 Q99714 4/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11273764 0.88 PLK1 (0.33) KDM4EMAPTCSNK2A2CSNK2BALDH1A1
SCHEMBL11283760 0.86 ALDH1A1 (0.36) KDM4ERAB9AIDO1ALDH1A1HPGD
SCHEMBL11285888 0.77 POLB (0.40) MAPTRAB9ACSNK2A2CSNK2BCSNK2A1
SCHEMBL11383593 0.70 NTRK1 (0.39) KDM4EMAPTMAPK1RAB9ATDP1
SCHEMBL11284898 0.70 KDM4E (0.40) KDM4EMAPTMAPK1RAB9ATDP1
SCHEMBL11274923 0.70 GPR35 (0.43) KDM4EMAPTMAPK1RAB9ATDP1
SCHEMBL10482511 0.67 CYSLTR2 (0.32) ALDH1A1
SCHEMBL6060851 0.65 KDM4E (0.36) KDM4EMAPTMAPK1HTTALDH1A1
SCHEMBL11149383 0.65 AKR1B1 (0.42) KDM4EMAPTMAPK1RAB9APKM
SCHEMBL3378970 0.65 PRKDC (0.38) KDM4EMAPTMAPK1HTTALDH1A1

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
US-4316904-A Indolopyrone tetrazoles and carboxamidotetrazoles having antiallergic activity WARNER-LAMBERT COMPANY 1982-02-23 US disclosed