SCHEMBL6836243

SCHEMBL6836243

Oc1c[c]cc(-n2nc3ccccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
STAT1 P42224 1/20 0.39
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
FGFR1 P11362 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
BLM P54132 1/20 0.33
CASP9 P55211 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33

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
SCHEMBL31613089 0.76 KDM4E (0.59) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL3678246 0.76 KDM4E (0.59) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL2670040 0.72 KDM4E (0.67) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL6506643 0.72 KDM4E (0.59) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL7649625 0.71 NPC1 (0.51) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL1034828 0.69 KDM4E (0.50) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL1428276 0.69 KDM4E (0.67) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL3692951 0.68 KDM4E (0.41) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL29692992 0.68 GABRA1 (0.47) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL18593568 0.68 KDM4E (0.73) KDM4EHPGDNPC1RAB9ALMNA

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-20040068920-A1 Stabilized fragrance candle wax CYTEC TECHNOLOGY CORP. 2004-04-15 US claimed