SCHEMBL17898387

SCHEMBL17898387

Cc1cc(-c2ccc(O)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5cccc(Oc7cccc(Oc8cccc(N9C(=O)c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)c8)c7)c5)C6=O)cc4C3=O)c2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
TYMS P04818 1/20 0.45
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ESR1 P03372 3/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCHR1 Q99705 1/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37

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
SCHEMBL17898390 0.88 BRD4 (0.49) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL17898389 0.87 BRD4 (0.48) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL17898388 0.85 BRD4 (0.47) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL14010052 0.80 BRD4 (0.51) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL11892525 0.79 BRD4 (0.50) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL12574001 0.79 BRD4 (0.59) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL13595156 0.79 ESR1 (0.43) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL14010053 0.78 BRD4 (0.58) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL18216704 0.78 ALDH1A1 (0.45) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL14010063 0.78 BRD4 (0.48) BRD4MEN1KMT2AALDH1A1MAPT

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-20160194542-A1 POLYIMIDE RESIN COMPOSITION, AND HEAT-CONDUCTIVE ADHESIVE FILM PRODUCED USING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-07-07 US disclosed