SCHEMBL3359757

SCHEMBL3359757

Cc1c(NCc2cc(O)ccc2O)ccc(P(=O)(O)O)c1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.50
HKDC1 Q2TB90 2/20 0.47
RGS12 O14924 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LCK P06239 1/20 0.45
MAPT P10636 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL413096 0.76 EGFR (0.58) EGFRHKDC1RGS12ALDH1A1LCK
Hydrochloric Acid SCHEMBL2984837 0.69 EGFR (0.50) EGFRHKDC1RGS12ALDH1A1LCK
SCHEMBL7932410 0.68 ESR1 (0.39) EGFRHKDC1MAPTTDP1ALOX5
SCHEMBL11510342 0.67 CA12 (0.61) EGFRHKDC1RGS12ALDH1A1LCK
SCHEMBL6258501 0.67 EGFR (0.63) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL10172851 0.65 EGFR (0.72) EGFRHKDC1RGS12ALDH1A1LCK
SCHEMBL4403985 0.65 EGFR (0.53) EGFRHKDC1RGS12ALDH1A1LCK
SCHEMBL9163440 0.65 EGFR (1.00) EGFRHKDC1RGS12ALDH1A1LCK
SCHEMBL461118 0.64 EGFR (0.52) EGFRHKDC1RGS12ALDH1A1LCK
SCHEMBL11674343 0.64 EGFR (0.60) EGFRHKDC1RGS12ALDH1A1LCK

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-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed