SCHEMBL11560412

SCHEMBL11560412

Cc1cccc(Br)c1N(C(=N)N)C(=O)NCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
CTSD P07339 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
F7 P08709 2/20 0.32
F2 P00734 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ANPEP P15144 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
SCHEMBL11135182 0.91 KMT2A (0.41) KMT2AGAAHSD17B10POLBTDP1
Hydrochloric Acid SCHEMBL11559023 0.90 KMT2A (0.40) KMT2AGAAHSD17B10POLBTDP1
SCHEMBL11053104 0.86 ABL1 (0.32) KMT2AGAAHSD17B10TDP1ALDH1A1
SCHEMBL11056263 0.85 ALDH1A1 (0.39) KMT2AGAAHSD17B10ALDH1A1HPGD
SCHEMBL11061778 0.85 ALDH1A1 (0.38) KMT2AGAAHSD17B10POLBTDP1
SCHEMBL11057304 0.84 L3MBTL1 (0.38) KMT2ATDP1ALDH1A1HPGDMAPT
SCHEMBL11053093 0.84 PTGES (0.36) KMT2AALDH1A1MEN1LMNAHTT
SCHEMBL11054132 0.83 CA1 (0.34) TDP1MAPTF2RAB9A
SCHEMBL11055145 0.82 KMT2A (0.40) KMT2AGAAHSD17B10POLBTDP1
SCHEMBL11058223 0.82 ALOX5 (0.39) GAAALDH1A1HPGDRAB9AHTT

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-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed