SCHEMBL4801351

SCHEMBL4801351

NN(C(=O)c1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.57
GRM5 P41594 1/20 0.52
MAPK14 Q16539 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.46
RAD52 P43351 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4800674 0.88 GRM1 (0.57) GRM1KMT2AMEN1RAB9ANPC1
SCHEMBL3341175 0.88 GRM1 (0.59) GRM1GRM5MAPK14KMT2AMEN1
SCHEMBL4782600 0.82 GRM1 (0.51) GRM1KMT2AMEN1RAB9ANPC1
SCHEMBL4800151 0.82 GRM1 (0.51) GRM1GRM5MAPK14KMT2AMEN1
SCHEMBL4798176 0.81 GRM1 (0.55) GRM1KMT2AMEN1RAB9ANPC1
SCHEMBL4798627 0.77 GRM1 (0.46) GRM1KMT2AMEN1RAB9ANPC1
SCHEMBL4799815 0.76 KMT2A (0.60) GRM1KMT2AMEN1RAB9ANPC1
SCHEMBL4795503 0.76 LMNA (0.40) GRM1GRM5KMT2AMEN1RAB9A
SCHEMBL4798879 0.75 NPC1 (0.59) GRM1MAPK14KMT2AMEN1RAB9A
SCHEMBL4797120 0.75 GRM1 (0.59) GRM1KMT2AMEN1RAB9ANPC1

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