SCHEMBL6131089

SCHEMBL6131089

Nc1cccc(N)c1.O=C(O)c1cc(O)cc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
CA7 P43166 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA6 P23280 1/20 0.55
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
PBRM1 Q86U86 1/20 0.50
HCAR1 Q9BXC0 3/20 0.48
CYP3A4 P08684 3/20 0.48
CASP1 P29466 2/20 0.48
RECQL P46063 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MCL1 Q07820 1/20 0.46
PARP1 P09874 1/20 0.44
DHODH Q02127 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL6131087 0.96 CA12 (0.54) CA12CA1CA2CA9CA7
Hydrochloric Acid SCHEMBL29270316 0.90 PBRM1 (0.55) CA12CA1CA2CA9CA7
Isophthalic Acid SCHEMBL7645859 0.85 PBRM1 (0.61) CA12CA1CA2CA9CA6
Terephthalic Acid SCHEMBL8011410 0.83 TSHR (0.57) CA12CA1CA2CA9CA7
SCHEMBL139644 0.80 CA12 (0.88) CA12CA1CA2CA9CA7
3-Aminobenzoic Acid SCHEMBL8003706 0.79 PBRM1 (0.69) CA12CA1CA2CA9CA6
3-Aminobenzoic Acid SCHEMBL29367812 0.79 PBRM1 (0.69) CA12CA1CA2CA9CA6
SCHEMBL29581511 0.79 CA12 (0.68) CA12CA1CA2CA9CA7
3-Aminobenzoic Acid SCHEMBL27648 0.79 PBRM1 (0.69) CA12CA1CA2CA9CA6
SCHEMBL571808 0.79 CA12 (0.68) CA12CA1CA2CA9CA7

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-20050064325-A1 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. 2005-03-24 US disclosed