SCHEMBL6814743

SCHEMBL6814743

Cc1c(C(=O)NO)cc(Br)c(N)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC6 Q9UBN7 6/20 0.39
HDAC1 Q13547 5/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 3/20 0.37
HDAC7 Q8WUI4 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL762108 0.81 KDM4E (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13917234 0.69 KDM4E (0.50) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL18704808 0.69 KDM4E (0.50) MEN1KMT2AMAPTTSHRHSD17B10
SCHEMBL17201206 0.69 KDM4E (0.47) MEN1KMT2ACYP1A2CYP2C19MAPT
SCHEMBL27993371 0.69 KDM4E (0.43) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL25170294 0.69 KDM4E (0.42) HDAC6HDAC1MAPTALDH1A1USP2
SCHEMBL20328549 0.68 KDM4E (0.42) MEN1KMT2ACYP1A2CYP2C19MAPT
SCHEMBL24129828 0.67 MAPT (0.50) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL31336087 0.67 HSD17B10 (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL29016434 0.67 KDM4E (0.43) HDAC6HDAC1MAPTALDH1A1HPGD

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-1144369-B1 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP claimed