SCHEMBL6162934

SCHEMBL6162934

NCc1cccc2c1C(=O)C(=O)N2CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
AKR1B1 P15121 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
APEX1 P27695 2/20 0.38
PTGES O14684 1/20 0.38
BRD4 O60885 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.36
PKM P14618 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
SCHEMBL18954475 0.82 CA12 (0.45) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL3010654 0.79 CA12 (0.49) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL2998053 0.79 MEN1 (0.48) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL3012558 0.71 CES1 (0.65) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL30519490 0.71 CES1 (0.65) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL30498849 0.66 ALDH1A1 (0.58) CA12CA9ALDH1A1MAPTCYP1A2
SCHEMBL29054304 0.66 ALDH1A1 (0.58) CA12CA9ALDH1A1MAPTCYP1A2
SCHEMBL9618341 0.65 CA12 (0.65) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL13607734 0.65 PARP1 (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11181448 0.65 KDM4E (0.79) CA12CA9ALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977545-B1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2005-02-16 EP claimed
EP-0977545-A1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-02-09 EP claimed
WO-1998047472-A1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-10-29 WO claimed