SCHEMBL937684

SCHEMBL937684

CC(=O)c1ccc(N2CCN(C)CC2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
RAD52 P43351 1/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 1/20 0.54
WDR5 P61964 1/20 0.50
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL11216126 0.85 KDM4E (0.55) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20682509 0.83 KDM4E (0.51) MAPTKDM4ERAD52NPC1RAB9A
SCHEMBL937021 0.83 MAPT (0.66) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3922628 0.83 ALDH1A1 (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4093686 0.83 SMN1; SMN2 (0.61) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1479263 0.82 KDM4E (0.51) MAPTKDM4ERAD52NPC1RAB9A
SCHEMBL1481336 0.76 POLB (0.58) MAPTKDM4ERAD52RAB9ASMN1; SMN2
SCHEMBL24309781 0.76 MAPT (0.62) MAPTKDM4ERAD52NPC1RAB9A
SCHEMBL29566344 0.76 MAPT (0.62) MAPTKDM4ERAD52NPC1RAB9A
SCHEMBL19192738 0.76 ALDH1A1 (0.58) KDM4EALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed
US-4053470-A BACTERICIDES, ANTIBIOTICS PARKE, DAVIS & COMPANY (US) 1977-10-11 US disclosed
US-3954734-A PENICILLIN AND CEPHALOSPORIN TYPE PARKE, DAVIS & COMPANY 1976-05-04 US disclosed