SCHEMBL412893

SCHEMBL412893

CC(C)c1c(NCC2=CC(=O)C=CC2=O)ccc(C(=O)O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ACLY P53396 1/20 0.31
FABP4 P15090 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
CISD1 Q9NZ45 1/20 0.30

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
SCHEMBL411652 0.84 KDM4C (0.34) KDM4EALDH1A1MAOAMAOBACLY
SCHEMBL411957 0.75 CAMKK2 (0.35) ALDH1A1MAOAMAOB
SCHEMBL461118 0.72 EGFR (0.52) ALDH1A1
SCHEMBL412797 0.70 ALDH1A1 (0.38) KDM4EALDH1A1RAB9AMAOAMAOB
SCHEMBL8138089 0.60 TSHR (0.47) KDM4EALDH1A1RAB9AMEN1TSHR
SCHEMBL1950385 0.59 CYP1A2 (0.50) KDM4EALDH1A1MEN1TSHRKMT2A
Acetic Acid SCHEMBL27291474 0.59 MAOA (0.42) ALDH1A1MAOAMAOBMEN1TSHR
SCHEMBL8144583 0.58 ACHE (0.52) ALDH1A1MAOAMAOBMEN1KMT2A
SCHEMBL217628 0.57 TSHR (0.61) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL32690872 0.57 TSHR (0.61) KDM4EALDH1A1MEN1TSHRKMT2A

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