SCHEMBL8961569

SCHEMBL8961569

Cc1cc(-n2nc(C(=O)O)c(=O)[nH]c2=O)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
STAT1 P42224 2/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 1/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
THRA P10827 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SPR P35270 1/20 0.36
THRB P10828 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 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
SCHEMBL3474407 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1STAT1ATMKMT2A
SCHEMBL31405697 0.81 THRA (0.47) L3MBTL1ALDH1A1STAT1ATMKMT2A
SCHEMBL9132407 0.80 L3MBTL1 (0.55) L3MBTL1ALDH1A1ATMKMT2ATHRA
SCHEMBL6219063 0.78 THRB (0.48) L3MBTL1ALDH1A1ATMKMT2ATHRA
SCHEMBL9373746 0.78 THRA (0.55) L3MBTL1ALDH1A1ATMCA1CA2
SCHEMBL5846631 0.77 MAPT (0.56) L3MBTL1ALDH1A1ATMKMT2ATHRA
SCHEMBL16703481 0.77 L3MBTL1 (0.46) L3MBTL1ALDH1A1STAT1ATMKMT2A
SCHEMBL6169134 0.77 P2RX7 (0.51) L3MBTL1STAT1ATMKMT2ATHRA
SCHEMBL1412864 0.76 L3MBTL1 (0.53) L3MBTL1ALDH1A1STAT1ATMKMT2A
SCHEMBL3956559 0.76 L3MBTL1 (0.53) L3MBTL1ALDH1A1ATMKMT2ATHRA

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
US-5530129-A Process for the preparation of 1,2,4-triazine-3,5-diones BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0695743-A1 Process for the preparation of 1,2,4-triazine-3,5-diones BAYER AG (DE) 1996-02-07 EP disclosed
US-4968795-A PARASITICIDES, ANTIPROTOZOA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed