SCHEMBL4727600

SCHEMBL4727600

CCCC(=O)Nc1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
RAB9A P51151 8/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 3/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.51
TP53 P04637 4/20 0.49
KDM4E B2RXH2 6/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 5/20 0.48
POLB P06746 1/20 0.48
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46

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 0.85 ALDH1A1 (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4726842 0.83 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4727645 0.82 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4779788 0.79 SMN1; SMN2 (0.57) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4781491 0.78 NPC1 (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4726932 0.78 RAB9A (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL29696201 0.78 TP53 (0.73) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3674141 0.75 CYP3A4 (0.75) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL2128024 0.74 RAB9A (0.66) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4842127 0.73 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA

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