SCHEMBL4802240

SCHEMBL4802240

NN(C(=O)c1ccc2ccccc2c1)c1nc(-c2ccc(N3CCCC3)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MCL1 Q07820 1/20 0.47
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.41
DHODH Q02127 1/20 0.41
HTR1A P08908 1/20 0.39

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
SCHEMBL4797456 0.85 GRM1 (0.48) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4800151 0.85 GRM1 (0.51) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4782600 0.83 GRM1 (0.51) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4800549 0.82 NPC1 (0.54) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL4801252 0.81 MAOA (0.39) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL4780726 0.80 MAPT (0.53) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3338686 0.76 MAPT (0.56) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4798176 0.75 GRM1 (0.55) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4845367 0.74 RAB9A (0.45) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4799024 0.71 KMT2A (0.53) RAB9ANPC1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO claimed
WO-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO disclosed