SCHEMBL411652

SCHEMBL411652

Cc1c(NCC2=CC(=O)C=CC2=O)ccc(C(=O)O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
ACLY P53396 1/20 0.33
FABP4 P15090 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
PLA2G1B P04054 2/20 0.32
MAPT P10636 2/20 0.32
ATG4B Q9Y4P1 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.32
MT-CO2 P00403 1/20 0.32
LMNA P02545 1/20 0.32
TTR P02766 1/20 0.32

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
SCHEMBL412893 0.84 KDM4E (0.32) MAOAMAOBACLYFABP4CISD1
SCHEMBL412797 0.75 ALDH1A1 (0.38) KDM4CMAOAMAOBBCL2L1MCL1
SCHEMBL411957 0.70 CAMKK2 (0.35) KDM4CMAOAMAOBMAPTALDH1A1
SCHEMBL13715485 0.68 KDM4E (0.58) MEN1KMT2AKDM4EPLA2G1BMAPT
SCHEMBL3343641 0.65 NR3C1 (0.45) MCL1ACLYMEN1KMT2AKDM4E
SCHEMBL4032987 0.63 LMNA (0.45) ACLYMEN1KMT2APLA2G1BMAPT
SCHEMBL7924637 0.63 TSHR (0.47) BCL2L1MCL1MEN1KMT2AKDM4E
SCHEMBL108571 0.63 TSHR (0.52) MEN1KMT2APLA2G1BMAPTATG4B
SCHEMBL3135874 0.62 KDM4E (0.49) KDM4CFABP4MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9649707 0.62 LMNA (0.44) ACLYMEN1KMT2APLA2G1BMAPT

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