SCHEMBL9749664

SCHEMBL9749664

CCN(CC)c1ccc(C(=CC(C=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccc3ccccc3c2C(N)=O)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
NPC1 O15118 4/20 0.41
PLK1 P53350 1/20 0.40
CNR2 P34972 1/20 0.38
MAPT P10636 8/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
ESRRG P62508 3/20 0.36
HSD11B1 P28845 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL9750061 0.88 CNR2 (0.42) KMT2AMEN1NPC1CNR2MAPT
SCHEMBL9839395 0.81 MAOB (0.40) KMT2AMEN1NPC1CNR2MAPT
SCHEMBL9749697 0.80 MAPT (0.41) KMT2AMEN1NPC1CNR2MAPT
SCHEMBL9750392 0.76 MAPT (0.39) KMT2AMEN1NPC1CNR2MAPT
SCHEMBL9749549 0.72 MAPT (0.38) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL9749956 0.71 MAPT (0.40) KMT2AMEN1CNR2MAPTALDH1A1
SCHEMBL3643349 0.69 CYP1A2 (0.38) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL9750055 0.69 MAPT (0.38) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL9840314 0.68 ALDH1A1 (0.47) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9750124 0.68 CNR2 (0.40) KMT2AMEN1CNR2MAPTALDH1A1

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-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed