SCHEMBL460120

SCHEMBL460120

CC(C)OC(=O)c1cc(NCc2c(O)ccc(O)c2Br)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
EGFR P00533 10/20 0.40
NOX4 Q9NPH5 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL24308304 0.74 LMNA (0.49) MAPTRXFP1CA12CA1CA2
SCHEMBL461117 0.72 HSP90AA1 (0.69) HSP90AA1MAPTEGFRNOX4ALDH1A1
SCHEMBL460121 0.72 KDM4C (0.42) MAPTEGFRNOX4ALDH1A1KDM4C
SCHEMBL8929781 0.72 HPGD (0.58) MAPTRXFP1ALDH1A1LMNAPOLB
SCHEMBL6362855 0.71 LMNA (0.50) MAPTRXFP1ALDH1A1LMNAPOLB
SCHEMBL11017289 0.71 LMNA (0.46) MAPTRXFP1CA12CA1CA2
SCHEMBL9198278 0.70 MAPT (0.46) MAPTRXFP1ALDH1A1LMNAPOLB
SCHEMBL8930021 0.70 ALDH1A1 (0.47) MAPTRXFP1ALDH1A1LMNAPOLB
SCHEMBL9197072 0.70 F2R (0.55) MAPTALDH1A1LMNAHPGD
SCHEMBL9198195 0.70 LMNA (0.49) MAPTRXFP1ALDH1A1LMNAPOLB

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