SCHEMBL8964538

SCHEMBL8964538

COc1cc2c(cc1C(=O)Nc1cc(-c3ccccc3)ccc1O)oc1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
KDM4E B2RXH2 9/20 0.60
ALDH1A1 P00352 8/20 0.60
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
LMNA P02545 6/20 0.60
NPSR1 Q6W5P4 3/20 0.60
HPGD P15428 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
CYP2D6 P10635 1/20 0.53
RAB9A P51151 3/20 0.52
GAA P10253 2/20 0.51
PTPN1 P18031 1/20 0.51
HDAC1 Q13547 2/20 0.50
NPC1 O15118 2/20 0.50

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
SCHEMBL8964494 0.87 KCNMA1 (0.64) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8964810 0.76 ALDH1A1 (0.60) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL12368180 0.76 MAPT (0.72) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6705537 0.75 MAPT (1.00) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8964804 0.74 MAPT (0.51) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL22139803 0.73 MEN1 (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5680962 0.73 MAPT (0.92) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14363388 0.70 ACLY (0.62) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5664848 0.70 CA12 (0.65) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL12127302 0.70 MAPT (0.87) MAPTKDM4EALDH1A1MEN1KMT2A

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed