SCHEMBL413750

SCHEMBL413750

Cc1cc(NCC2=CC(=O)c3ccccc3C2=O)ccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.63
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 3/20 0.41
PKM P14618 2/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
MAP2K7 O14733 1/20 0.40
KDM4E B2RXH2 4/20 0.40
APAF1 O14727 2/20 0.40
HKDC1 Q2TB90 2/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
MITF O75030 1/20 0.40
THRB P10828 1/20 0.40
NR4A1 P22736 1/20 0.40
SMAD3 P84022 1/20 0.40
TDP2 O95551 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 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
SCHEMBL413751 0.78 CYP19A1 (1.00) CYP19A1MAPTSMN1; SMN2MAPK1KMT2A
SCHEMBL412797 0.77 ALDH1A1 (0.38) CYP19A1MAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL19953389 0.74 CYP19A1 (0.53) CYP19A1MAPTSMN1; SMN2MAPK1PKM
SCHEMBL3394005 0.69 ALOX5 (0.62) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL14840537 0.69 TTR (0.51) MAPTSMN1; SMN2MAPK1PKMKMT2A
SCHEMBL28414899 0.68 PLK1 (0.48) MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL5373332 0.68 L3MBTL1 (0.48) CYP19A1MAPTPKMKMT2AMEN1
SCHEMBL26436210 0.68 MAPK13 (0.57) MAPTMAPK1KMT2AMEN1HPGD
SCHEMBL1705430 0.67 EGFR (0.75) MAPTHKDC1NOX4ALDH1A1TDP1
SCHEMBL12679379 0.67 MEN1 (0.48) MAPTSMN1; SMN2KMT2AMEN1KDM4E

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