SCHEMBL17804333

SCHEMBL17804333

CCCC(=O)c1cc(Br)cc(N)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.36
FASN P49327 2/20 0.36
POLB P06746 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
SCHEMBL22055395 0.86 KDM4E (0.42) TDP1ALDH1A1RECQLHSD17B10MAPT
SCHEMBL17804320 0.80 CYP3A4 (0.47) TDP1TSHRALDH1A1RECQLHPGD
SCHEMBL13468056 0.77 KDM4E (0.46) TDP1ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL600598 0.77 KDM4E (0.66) TDP1ALDH1A1RECQLHSD17B10MAPT
SCHEMBL21543950 0.77 ALDH1A1 (0.51) TSHRALDH1A1RECQLHPGDALOX15
SCHEMBL17804340 0.76 TSHR (0.40) TDP1TSHRALDH1A1RECQLHPGD
SCHEMBL17804328 0.75 CYP1A2 (0.41) TDP1TSHRALDH1A1RECQLHPGD
SCHEMBL12499964 0.72 KDM4E (0.47) TDP1TSHRALDH1A1HPGDALOX15
SCHEMBL7476851 0.72 HSD17B10 (0.46) TDP1TSHRALDH1A1RECQLHPGD
SCHEMBL29920315 0.72 KDM4E (0.47) TDP1TSHRALDH1A1HPGDALOX15

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
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed