SCHEMBL9682777

SCHEMBL9682777

O=C(/C=C/c1c2ccccc2nc2ccccc12)OCCOCCOCCOC(=O)/C=C/c1c2ccccc2nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 7/20 0.48
AKR1B1 P15121 7/20 0.48
MAOB P27338 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
MAPK1 P28482 3/20 0.41
ALOX5 P09917 3/20 0.41
LMNA P02545 3/20 0.41
APP P05067 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
EGFR P00533 1/20 0.41
TTR P02766 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL9682780 1.00 AKR1B10 (0.48) AKR1B10AKR1B1MAOBHCAR2MAPK1
SCHEMBL9682217 0.90 AKR1B10 (0.46) AKR1B10AKR1B1MAOBHCAR2MAPK1
SCHEMBL29236452 0.87 TOP2A (0.51) AKR1B10AKR1B1HCAR2MAPK1ALOX5
SCHEMBL9683489 0.83 LMNA (0.57) AKR1B10AKR1B1HCAR2MAPK1LMNA
SCHEMBL9682234 0.81 ALDH1A1 (0.42) AKR1B10AKR1B1MAPK1LMNAKDM4E
SCHEMBL9682243 0.81 ALDH1A1 (0.42) AKR1B10AKR1B1MAPK1LMNAKDM4E
SCHEMBL9682795 0.79 KMT2A (0.54) MAPK1APPKDM4ECYP3A4ALOX15
SCHEMBL9682211 0.79 KMT2A (0.54) MAPK1APPKDM4ECYP3A4ALOX15
SCHEMBL15929684 0.77 AKR1B10 (0.76) AKR1B10AKR1B1MAOBHCAR2MAPK1
SCHEMBL18393355 0.77 AKR1B10 (0.76) AKR1B10AKR1B1MAOBHCAR2MAPK1

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-5089377-A Acridin-9-yl acrylates ASAHI DENKA KOGYO K.K. (JP) 1992-02-18 US disclosed
US-4985564-A Acridine compound and photopolymerizable composition using the same HITACHI CHEMICAL CO., LTD. (JP) 1991-01-15 US disclosed