SCHEMBL4795299

SCHEMBL4795299

NNC(=O)c1ccc2c(c1)ncn2-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 2/20 0.45
AR P10275 2/20 0.44
MAPT P10636 9/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 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
SCHEMBL4732492 0.72 MAPT (0.52) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL8346599 0.70 FGFR1 (0.60) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL8525187 0.68 POLB (0.57) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL30441533 0.67 FGFR1 (0.70) ALDH1A1RAB9AMEN1KMT2APOLB
SCHEMBL27856677 0.66 MAPT (0.48) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL24416411 0.66 BRD4 (0.44) ALDH1A1RAB9APOLBHTT
SCHEMBL27908151 0.66 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL165760 0.66 TSHR (0.62) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3341971 0.65 CA12 (0.50) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL11491739 0.65 MAPT (0.67) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A

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