SCHEMBL11512440

SCHEMBL11512440

Oc1ccc(CNc2ccccc2O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
MAPT P10636 6/20 0.61
MEN1 O00255 4/20 0.61
ALDH1A1 P00352 4/20 0.61
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 3/20 0.61
THRB P10828 1/20 0.61
ALOX12 P18054 1/20 0.61
HTT P42858 1/20 0.51
GAA P10253 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX5 P09917 1/20 0.49
TYR P14679 1/20 0.48
MAOB P27338 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL11510342 0.86 CA12 (0.61) CA12CA2CA9MAPTMEN1
SCHEMBL10782516 0.83 CA12 (0.88) CA12CA2CA9MAPTMEN1
SCHEMBL11512368 0.78 MAPT (0.59) CA12CA2CA9MAPTMEN1
SCHEMBL11509284 0.76 MAPT (1.00) CA12CA2CA9MAPTMEN1
SCHEMBL11510302 0.76 EGFR (0.72) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL11512342 0.75 KDM4E (0.66) CA12CA2CA9MAPTMEN1
SCHEMBL11511257 0.75 MAOB (0.62) MAPTALDH1A1TYRMAOBTDP1
SCHEMBL6340490 0.75 CA12 (0.51) CA12CA2CA9MAPTMEN1
SCHEMBL14521268 0.74 TYR (0.62) MAPTMEN1KMT2AHTTTP53
SCHEMBL11514456 0.74 MAPT (0.70) CA12CA2CA9MAPTMEN1

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-4152452-A N-BENZYLANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1979-05-01 US disclosed