SCHEMBL4795401

SCHEMBL4795401

NN(C(=O)c1ccccc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.61
KMT2A Q03164 9/20 0.56
NPC1 O15118 8/20 0.56
MEN1 O00255 7/20 0.56
RAB9A P51151 7/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 2/20 0.51
MAPK14 Q16539 1/20 0.46
ROCK1 Q13464 1/20 0.46
DHODH Q02127 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALOX15 P16050 1/20 0.44
GSTO1 P78417 1/20 0.43

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
SCHEMBL4799960 0.97 GRM1 (0.63) GRM1KMT2ANPC1MEN1RAB9A
SCHEMBL4797632 0.88 KMT2A (0.74) GRM1KMT2ANPC1MEN1RAB9A
SCHEMBL4798176 0.83 GRM1 (0.55) GRM1KMT2ANPC1MEN1RAB9A
SCHEMBL4799557 0.82 CSNK2A1 (0.52) GRM1KMT2ANPC1MEN1RAB9A
SCHEMBL3341175 0.80 GRM1 (0.59) GRM1KMT2ANPC1MEN1RAB9A
SCHEMBL4800674 0.78 GRM1 (0.57) GRM1KMT2ANPC1MEN1RAB9A
SCHEMBL2828727 0.75 KMT2A (0.80) GRM1KMT2ANPC1MEN1RAB9A
SCHEMBL4797120 0.75 GRM1 (0.59) GRM1KMT2ANPC1MEN1RAB9A
SCHEMBL4798879 0.75 NPC1 (0.59) GRM1KMT2ANPC1MEN1RAB9A
SCHEMBL4732495 0.74 MAPT (0.56) GRM1KMT2ANPC1MEN1RAB9A

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