SCHEMBL11638992

SCHEMBL11638992

CCOc1cc2c3c(cccc3c1)C(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 7/20 0.51
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 4/20 0.38
HTT P42858 3/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.38
ALPL P05186 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL5747221 0.87 NPSR1 (0.55) ATG4BMAPTSMN1; SMN2PARP1ALDH1A1
SCHEMBL7709455 0.74 TYMS (0.53)
SCHEMBL24317856 0.72 NPSR1 (0.73) ATG4BMAPTSMN1; SMN2PARP1NPSR1
SCHEMBL24317960 0.72 PARP1 (0.53) ATG4BMAPTSMN1; SMN2PARP1NPSR1
SCHEMBL1356477 0.71 PARP1 (0.45) ATG4BMAPTSMN1; SMN2PARP1ALDH1A1
SCHEMBL29428940 0.70 PARP1 (0.72) ATG4BMAPTPARP1ALDH1A1NPSR1
SCHEMBL302763 0.70 PARP1 (0.72) ATG4BMAPTPARP1ALDH1A1NPSR1
SCHEMBL7706739 0.70 ERCC1 (0.57) MAPTSMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL17726915 0.70 NPSR1 (0.59) MAPTSMN1; SMN2PARP1ALDH1A1NPSR1
SCHEMBL27006387 0.69 KMT2A (0.50) ATG4BMAPTPARP1ALDH1A1NPSR1

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-4096145-A DYES FOR RESINS AND POLYESTER TEXTILES BASF AKTIENGESELLSCHAFT (DT) 1978-06-20 US disclosed