SCHEMBL8983759

SCHEMBL8983759

Nc1cccc2c1C(=O)c1ccc(C(=O)O)c(N)c1C2=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.77
MAPK1 P28482 6/20 0.77
ALDH1A1 P00352 6/20 0.77
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
THRB P10828 3/20 0.77
LMNA P02545 3/20 0.77
POLB P06746 3/20 0.77
RECQL P46063 1/20 0.77
PKM P14618 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MCL1 Q07820 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
USP2 O75604 1/20 0.56
ADORA2A P29274 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MMP14 P50281 1/20 0.50
MAOA P21397 2/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL2839419 0.87 MAPT (1.00) MAPTMAPK1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11043762 0.85 MAPT (0.97) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7539866 0.85 ALDH1A1 (0.71) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7532369 0.80 ALDH1A1 (0.69) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL29944895 0.78 ADORA2A (0.86) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL64318 0.78 ADORA2A (0.86) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8983726 0.78 MAPT (0.74) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL27880004 0.77 ADORA2A (0.65) MAPTMAPK1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8643197 0.76 ADORA2A (0.83) MAPTMAPK1ALDH1A1MEN1KMT2A
Bromide SCHEMBL28221408 0.76 ADORA2A (0.83) MAPTMAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5548039-A CONDENSATION PRODUCT OF ANTHRAQUINONE COMPOUND HAVING AT LEAST TWO AMINO GROUPS AND EITHER BENZOQUINONE AND OR NAPHTHOQUINONE COMPOUNDS SHIN-ETSU CHEMICAL CO., LTD (JP) 1996-08-20 US claimed
US-5548039-A CONDENSATION PRODUCT OF ANTHRAQUINONE COMPOUND HAVING AT LEAST TWO AMINO GROUPS AND EITHER BENZOQUINONE AND OR NAPHTHOQUINONE COMPOUNDS SHIN-ETSU CHEMICAL CO., LTD (JP) 1996-08-20 US disclosed