SCHEMBL4795138

SCHEMBL4795138

NN(C(=O)c1cc2ccccc2[nH]1)c1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
AR P10275 2/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
GSTO1 P78417 1/20 0.42
CSNK2A1 P68400 2/20 0.41
FLT3 P36888 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL4797971 0.90 KDM4E (0.44) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4797498 0.86 KDM4E (0.42) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL4797332 0.83 MAPT (0.44) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4797913 0.83 HSD17B10 (0.44) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4845367 0.75 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4797456 0.75 GRM1 (0.48) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3338690 0.74 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4782600 0.73 GRM1 (0.51) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4780726 0.70 MAPT (0.53) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4802240 0.69 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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