SCHEMBL9750091

SCHEMBL9750091

CC(=O)CC(C)=O.CN(C)c1ccc(C(=CCC=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
MAPT P10636 2/20 0.50
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 3/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B3 P37058 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9750077 0.90 MAPT (0.53) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL4897408 0.87 ALDH1A1 (0.52) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL9839509 0.83 ALDH1A1 (0.47) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL9750173 0.81 MAPT (0.46) ALDH1A1MAPTRAB9ANPC1MAPK1
Dibenzoylmethane SCHEMBL9838231 0.81 RAB9A (0.56) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL14099863 0.80 RAB9A (0.58) ALDH1A1HPGDMAPTRAB9ANPC1
Malonic Acid Diethyl Ester SCHEMBL9840328 0.80 ALDH1A1 (0.48) ALDH1A1HPGDMAPTHDAC1RAB9A
SCHEMBL9840309 0.79 ALDH1A1 (0.45) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL11427804 0.78 ALDH1A1 (0.57) ALDH1A1HPGDMAPTHDAC1HDAC6
SCHEMBL3843346 0.76 MAPT (0.43) ALDH1A1HPGDMAPTHDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed