SCHEMBL9314849

SCHEMBL9314849

N#Cc1c([N+](=O)[O-])ccc(N)c1Br

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.38
CUL4A Q13619 1/20 0.37
VCAM1 P19320 3/20 0.37
LMNA P02545 2/20 0.37
CTSB P07858 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL2416493 0.79 ATM (0.42) TDP1ALDH1A1TSHRMAPTRAB9A
SCHEMBL4584523 0.77 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL11649742 0.77 TDP1 (0.43) TDP1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL8310679 0.77 RAB9A (0.41) TDP1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL12972537 0.76 ALDH1A1 (0.41) TDP1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL21808044 0.76 ALDH1A1 (0.45) TDP1ALDH1A1CYP3A4POLBMEN1
SCHEMBL2413571 0.75 SMN1; SMN2 (0.46) TDP1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL10825686 0.74 ALDH1A1 (0.47) TDP1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL12972546 0.73 ALDH1A1 (0.41) TDP1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL9575163 0.72 TDP1 (0.41) TDP1ALDH1A1CYP3A4TSHRMEN1

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
US-5342416-A Washfastness LUCKY LIMITED (KR) 1994-08-30 US disclosed