SCHEMBL11503586

SCHEMBL11503586

O=c1c(-c2nnn[nH]2)coc2ccc(CCO)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ ALDH2 P05091 5/20 0.33
▸ MAOA P21397 3/20 0.33
▸ MAOB P27338 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL11550765 0.86 TP53 (0.37) MAOBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11548529 0.85 TP53 (0.36) MAOBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11553593 0.82 ALDH1A1 (0.45) ALOX15ALOX12ALDH2MAOAMAOB
SCHEMBL11548968 0.76 MAPT (0.47) MAOAMAOBKDM4ENPC1ALDH1A1
SCHEMBL11548259 0.76 NISCH (0.50) MAOAMAOBKDM4ENPC1ALDH1A1
SCHEMBL11503585 0.75 CA12 (0.40) MAOAMAOBKDM4ENPC1RAB9A
SCHEMBL10743625 0.72 FTO (0.35) ALOX15ALOX12ALDH2MAOAMAOB
SCHEMBL11228847 0.70 MAPT (0.40) ALOX15ALOX12ALDH2MAOAMAOB
SCHEMBL2360039 0.68 KDM4E (0.67) ALOX15ALOX12ALDH2MAOAMAOB
SCHEMBL11549647 0.67 POLB (0.51) ALOX15ALOX12KDM4ENPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54059279-A — — None — — JP disclosed
JP-S5459279-A NOVEL CHROMONE DERIVATIVE AND ITS PREPARATION TAKEDA CHEM IND LTD 1979-05-12 — — JP disclosed
Send feedback