SCHEMBL4732495

SCHEMBL4732495

NN(C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
GAA P10253 1/20 0.54
POLB P06746 2/20 0.50
GRM1 Q13255 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 2/20 0.46
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AR P10275 1/20 0.45

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
SCHEMBL4798176 0.89 GRM1 (0.55) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4780726 0.88 MAPT (0.53) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL3341845 0.85 MAPT (0.60) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4799462 0.84 RAB9A (0.56) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4800674 0.84 GRM1 (0.57) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4797120 0.81 GRM1 (0.59) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL3341175 0.81 GRM1 (0.59) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4799172 0.81 MAPT (0.49) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4797546 0.81 RAB9A (0.55) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4795303 0.79 MAPT (0.47) MAPTRAB9AMEN1KMT2AALDH1A1

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