SCHEMBL6258501

SCHEMBL6258501

O=C(O)c1ccccc1NCc1cc(O)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.63
ALDH1A1 P00352 3/20 0.63
NOX4 Q9NPH5 2/20 0.63
RGS12 O14924 1/20 0.63
LCK P06239 1/20 0.63
MAPT P10636 1/20 0.63
CAMKK2 Q96RR4 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
SYK P43405 4/20 0.53
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSP90AA1 P07900 1/20 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
Adamantane SCHEMBL28227462 0.92 EGFR (0.55) EGFRALDH1A1NOX4RGS12LCK
SCHEMBL6260824 0.88 EGFR (0.52) EGFRALDH1A1NOX4RGS12LCK
SCHEMBL31060627 0.88 EGFR (0.52) EGFRALDH1A1NOX4RGS12LCK
SCHEMBL6259074 0.85 EGFR (0.66) EGFRNOX4HSP90AA1
SCHEMBL11510342 0.81 CA12 (0.61) EGFRALDH1A1NOX4RGS12LCK
SCHEMBL9567555 0.79 HPGD (0.63) ALDH1A1MAPTHPGDHSD17B10POLB
SCHEMBL413096 0.78 EGFR (0.58) EGFRALDH1A1NOX4RGS12LCK
SCHEMBL4730865 0.78 CDC7 (0.65) EGFRALDH1A1MAPTHPGDHSD17B10
Lavendustin C SCHEMBL30569227 0.78 EGFR (1.00) EGFRALDH1A1NOX4RGS12LCK
Lavendustin C SCHEMBL1821516 0.78 EGFR (1.00) EGFRALDH1A1NOX4RGS12LCK

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
WO-2005065074-A2 PROTECTION OF TISSUES AND CELLS FROM CYTOTOXIC EFFECTS OF IONIZING RADIATION BY ABL INHIBITORS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-07-21 WO claimed