SCHEMBL14280394

SCHEMBL14280394

CCn1c2ccccc2c(=O)c2cc(C)c(C)cc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
KDM4E B2RXH2 4/20 0.50
P2RX4 Q99571 2/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NSD2 O96028 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HBB P68871 1/20 0.47
DHFR P00374 1/20 0.47
GLA P06280 1/20 0.46
LMNA P02545 2/20 0.46
ABCB1 P08183 2/20 0.45
SLC6A4 P31645 2/20 0.44

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
SCHEMBL29431235 0.90 ALDH1A1 (0.85) ALDH1A1KDM4EP2RX4MEN1KMT2A
SCHEMBL10022925 0.90 ALDH1A1 (0.85) ALDH1A1KDM4EP2RX4MEN1KMT2A
SCHEMBL12925864 0.86 MAPT (0.62) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL25752336 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHTTHSD17B10
SCHEMBL116890 0.86 ALDH1A1 (1.00) ALDH1A1KDM4EP2RX4MEN1KMT2A
SCHEMBL14280386 0.85 PGR (0.56) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL13809101 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EP2RX4MEN1KMT2A
SCHEMBL24077415 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11391828 0.79 ALDH1A1 (0.72) ALDH1A1KDM4EP2RX4MEN1KMT2A
SCHEMBL16558703 0.79 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2AMAPT

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-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 US disclosed
US-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 US disclosed