SCHEMBL413096

SCHEMBL413096

Cc1c(NCc2cc(O)ccc2O)ccc(C(=O)O)c1O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.58
LCK P06239 2/20 0.58
RGS12 O14924 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
CAMKK2 Q96RR4 1/20 0.58
NOX4 Q9NPH5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HKDC1 Q2TB90 1/20 0.46
SYK P43405 1/20 0.44

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
SCHEMBL6258501 0.78 EGFR (0.63) EGFRLCKRGS12ALDH1A1MAPT
SCHEMBL1705430 0.77 EGFR (0.75) EGFRLCKRGS12ALDH1A1MAPT
SCHEMBL461118 0.77 EGFR (0.52) EGFRLCKRGS12ALDH1A1MAPT
SCHEMBL3359757 0.76 EGFR (0.50) EGFRLCKRGS12ALDH1A1MAPT
SCHEMBL7809216 0.75 EGFR (0.81) EGFRLCKRGS12ALDH1A1MAPT
Lavendustin C SCHEMBL30569227 0.73 EGFR (1.00) EGFRLCKRGS12ALDH1A1MAPT
Lavendustin C SCHEMBL1821516 0.73 EGFR (1.00) EGFRLCKRGS12ALDH1A1MAPT
SCHEMBL409990 0.73 EGFR (0.71) EGFRLCKRGS12ALDH1A1MAPT
Adamantane SCHEMBL28227462 0.72 EGFR (0.55) EGFRLCKRGS12ALDH1A1MAPT
SCHEMBL6094207 0.72 ALDH1A1 (0.51) EGFRLCKRGS12ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
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