SCHEMBL4727645

SCHEMBL4727645

CC(C)C(=O)Nc1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
KDM4E B2RXH2 10/20 0.56
HPGD P15428 5/20 0.56
RAB9A P51151 9/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
NPC1 O15118 8/20 0.54
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 2/20 0.50
TP53 P04637 4/20 0.47
PPARG P37231 1/20 0.47
MAPT P10636 3/20 0.44
NR4A2 P43354 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
CLK1 P49759 1/20 0.43

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
SCHEMBL4727599 0.87 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4725453 0.87 NPC1 (0.57) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4727600 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4726842 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4779788 0.81 SMN1; SMN2 (0.57) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4726932 0.80 RAB9A (0.64) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL2127619 0.77 RAB9A (0.55) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL2128024 0.76 RAB9A (0.66) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL11402078 0.73 EPHX1 (0.63) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL28581542 0.73 ALOX5 (0.67) KDM4ERAB9ASMN1; SMN2NPC1KMT2A

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-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed