SCHEMBL30947375

SCHEMBL30947375

O=c1c2ccccc2oc2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
ALDH1A1 P00352 3/20 1.00
MAOA P21397 10/20 0.61
GLA P06280 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
PGAM1 P18669 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
NPC1 O15118 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 3/20 0.46
LMNA P02545 1/20 0.46
NCOA1 Q15788 1/20 0.44
PTGS2 P35354 1/20 0.44
TTR P02766 2/20 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
SCHEMBL30863308 1.00 KDM4E (1.00) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL2521419 1.00 KDM4E (1.00) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL12914543 0.86 KDM4E (0.75) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL537382 0.84 KDM4E (0.72) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL29386410 0.84 KDM4E (0.72) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL8113673 0.80 KDM4E (0.67) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL1794300 0.80 ALDH1A1 (0.67) KDM4EALDH1A1MAOAHPGDSMN1; SMN2
SCHEMBL8558621 0.80 KDM4E (0.67) KDM4EALDH1A1MAOACYP3A4MAPT
SCHEMBL2519665 0.80 KDM4E (0.67) KDM4EALDH1A1MAOAGLACYP3A4
SCHEMBL8105545 0.80 ALDH1A1 (0.67) KDM4EALDH1A1MAOAGLACYP3A4

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-3635056-B1 LIGHT COLOR ROSIN ESTER COMPOSITIONS AND METHODS OF MAKING SAME KRATON POLYMERS LLC (US) 2024-04-10 EP disclosed