SCHEMBL7715325

SCHEMBL7715325

CC(=O)Nc1ccc2ccccc2c1-c1c(O)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
APOBEC3A P31941 1/20 0.45
GFER P55789 1/20 0.45
HDAC1 Q13547 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43

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
SCHEMBL20436327 0.92 ALDH1A1 (0.57) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL4125050 0.83 KDM4E (0.49) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL29512053 0.82 NPC1 (0.60) MAPTKMT2AMEN1HPGDGAA
Acetic Acid SCHEMBL28608130 0.81 MAPT (0.56) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10609908 0.81 KDM4E (0.54) MAPTKDM4EALDH1A1HPGDGLA
SCHEMBL4125057 0.81 ALDH1A1 (0.47) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL20441471 0.81 ALDH1A1 (0.47) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL1011424 0.80 ALDH1A1 (0.56) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL28417103 0.80 IDO1 (0.56) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL6053373 0.79 RXFP1 (0.46) MAPTKMT2AKDM4EALDH1A1HPGD

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-6380392-B1 COMPLEXES THE PENN STATE RESEARCH FOUNDATION 2002-04-30 US disclosed