SCHEMBL9703320

SCHEMBL9703320

C=C=C(CN)COc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.54
PTPN7 P35236 1/20 0.53
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PPARG P37231 2/20 0.48
HTT P42858 2/20 0.48
NCOA2 Q15596 2/20 0.48
NCOA1 Q15788 2/20 0.48
NCOA3 Q9Y6Q9 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX5 P09917 1/20 0.44
POLB P06746 2/20 0.43

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
SCHEMBL9702021 0.82 MAOB (0.50) MEN1KMT2A
SCHEMBL9702218 0.78 APP (0.43) MAPK1
SCHEMBL9701922 0.77 ESR1 (0.41) LMNA
SCHEMBL9702766 0.76 MAOB (0.44) RAB9AHPGDPOLB
SCHEMBL9703429 0.76 MAOB (0.49) KMT2ALMNA
SCHEMBL13780482 0.75 PTPN7 (0.61) AGXTPTPN7MEN1KMT2APPARG
SCHEMBL9702170 0.74 MAOB (0.38) NPSR1HPGDLMNAALDH1A1
SCHEMBL9700898 0.74 FKBP1A (0.49) KMT2ARAB9AMAPK1HPGDNPC1
SCHEMBL30439235 0.72 AGXT (0.70) AGXTPTPN7PPARGHTTRAB9A
SCHEMBL2671325 0.72 AGXT (0.70) AGXTPTPN7PPARGHTTRAB9A

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
US-5120764-A Administering penicillamine and allenylamines to inhibit crosslinking of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-09 US disclosed
EP-0374440-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed