SCHEMBL2560423

SCHEMBL2560423

c1cc(-c2cnc(N3CCCCC3)s2)cc(N2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 12/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
MDM2 Q00987 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRMT6 Q96LA8 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2553718 0.85 SMN1; SMN2 (0.47) MLYCDRAB9ASMN1; SMN2MAPK1
SCHEMBL12291682 0.85 MLYCD (0.42) MLYCD
SCHEMBL2554015 0.84 SMN1; SMN2 (0.48) MLYCDRAB9ASMN1; SMN2
SCHEMBL12288909 0.84 MLYCD (0.43) MLYCD
SCHEMBL25319192 0.83 DHFR (0.44) MLYCDALDH1A1KDM4EMEN1GAA
SCHEMBL29475557 0.83 DHFR (0.44) MLYCDALDH1A1KDM4EMEN1GAA
SCHEMBL27874787 0.82 USP30 (0.47) ALDH1A1KDM4EMAPTMEN1GAA
SCHEMBL2560013 0.79 MLYCD (0.54) MLYCD
SCHEMBL24019027 0.79 ALDH1A1 (0.43) MLYCDALDH1A1KDM4EMAPTMEN1
SCHEMBL28234070 0.76 MLYCD (0.56) MLYCDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011130515-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-20 WO disclosed