SCHEMBL10832015

SCHEMBL10832015

COCCCN1C(=O)c2c(O)c(C=O)c3ccccc3c2C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
PADI4 Q9UM07 1/20 0.41
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.37
RECQL P46063 1/20 0.35
PTGER4 P35408 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
ERN1 O75460 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL10832426 0.79 PADI4 (0.53) ALDH1A1PADI4MAPTSMN1; SMN2MEN1
SCHEMBL11602761 0.76 PADI4 (0.44) ALDH1A1PADI4MAPTMEN1KMT2A
SCHEMBL9006276 0.75 ALDH1A1 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL579407 0.72 RAB9A (0.40) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10832018 0.72 RXFP1 (0.43) ALDH1A1MAPTMAPK1RAB9AMEN1
SCHEMBL10719302 0.69 RAB9A (0.67) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11418395 0.67 ALDH1A1 (0.48) ALDH1A1MAPK1RAB9ASMN1; SMN2KMT2A
SCHEMBL14560577 0.66 TDP1 (0.58) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL10832066 0.66 PADI4 (0.44) ALDH1A1PADI4MAPTMAPK1MEN1
SCHEMBL8264250 0.65 MEN1 (0.66) ALDH1A1MAPTMAPK1SMN1; SMN2MEN1

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-4578469-A COUMARIN DYES HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-25 US disclosed