SCHEMBL359742

SCHEMBL359742

Nc1ccn(-c2nc3cc(Br)c([N+](=O)[O-])cc3s2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CA2 P00918 8/20 0.37
CA12 O43570 7/20 0.37
CA9 Q16790 7/20 0.37
CA1 P00915 6/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TYMS P04818 2/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
CA5A P35218 1/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.32
CTSB P07858 1/20 0.32
CYP19A1 P11511 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL360263 0.76 RAB9A (0.55) GAARAB9ANPC1ALDH1A1CYP3A4
SCHEMBL360223 0.76 GAA (0.68) GAACA2RAB9ANPC1TYMS
SCHEMBL14809676 0.71 RAB9A (0.54) GAARAB9ANPC1APOBEC3AAPOBEC3G
SCHEMBL24603548 0.70 SMN1; SMN2 (0.55) GAARAB9ANPC1ALDH1A1TDP1
SCHEMBL360193 0.70 GAA (0.46) GAACA2TYMSALDH1A1CYP3A4
SCHEMBL359189 0.70 HTT (0.54) GAACA2CA12CA9CA1
SCHEMBL371310 0.69 CA1 (0.42) GAACA2CA12CA9CA1
SCHEMBL360852 0.67 MAPT (0.58) CA2CA12CA9CA1RAB9A
SCHEMBL360416 0.67 CA2 (0.41) CA2CA12CA9CA1RAB9A
SCHEMBL10713970 0.65 TDP1 (0.46) ALDH1A1CYP3A4TDP1TSHRMAPT

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-2012007510-A1 COMPOUNDS FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed