SCHEMBL6463667

SCHEMBL6463667

CC(CCC1=C(C(=O)O)C(c2ccccn2)NC(=O)N1)N(C)C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPK14 Q16539 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
ATM Q13315 1/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
MMP13 P45452 1/20 0.32
CTDSP1 Q9GZU7 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
SCHEMBL6463908 0.80 ALDH1A1 (0.44) NPY5RMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6468063 0.71 MCHR1 (0.38) MAPTMEN1KMT2AATM
SCHEMBL6533656 0.67 ALDH1A1 (0.47) MAPTSMN1; SMN2MEN1KMT2AATM
SCHEMBL5563099 0.66 ALDH1A1 (0.40) MEN1KMT2AATM
SCHEMBL9878124 0.60 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AATM
SCHEMBL23745244 0.59 DDB1 (0.51) TP53MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2563428 0.59 DDB1 (0.51) TP53MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11486845 0.58 SMN1; SMN2 (0.85) SMN1; SMN2MEN1KMT2AATM
SCHEMBL28259164 0.57 ALDH1A1 (0.45) MAPTATM
SCHEMBL19732959 0.56 USP2 (0.56) TP53SMN1; SMN2MEN1KMT2A

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-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO claimed