SCHEMBL11564209

SCHEMBL11564209

Cc1ncn(-c2ccc(C(=O)O)cc2)c(=O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
APEX1 P27695 1/20 0.44
GAA P10253 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
MAPK1 P28482 1/20 0.42
FGFR1 P11362 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
DYRK1A Q13627 1/20 0.40
DDAH1 O94760 1/20 0.40

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
SCHEMBL11565008 0.89 SMN1; SMN2 (0.47) HTTPOLBALDH1A1KMT2AMEN1
SCHEMBL11562309 0.87 RAB9A (0.48) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL23147211 0.87 PTGS2 (0.45) KMT2AKDM4EL3MBTL1
Ammonia Solution, Strong SCHEMBL11559116 0.85 RAB9A (0.47) KMT2AMEN1KDM4EMAPTGAA
Ammonia Solution, Strong SCHEMBL11565675 0.83 KMT2A (0.46) HTTKMT2AMEN1KDM4EMAPT
SCHEMBL11560097 0.75 SMN1; SMN2 (0.45) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL10476781 0.74 NR4A1 (0.60) HTTNR4A1NR4A2POLBALDH1A1
SCHEMBL11560437 0.72 RAB9A (0.46) GAASMN1; SMN2CA1
SCHEMBL11562101 0.72 RAB9A (0.46) HTTGAASMN1; SMN2
SCHEMBL23900462 0.72 BCAT2 (0.47) POLBALDH1A1KMT2AMEN1HPGD

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-4147528-A 6-Oxopyrimidine plant growth regulators ROHM AND HAAS COMPANY (US) 1979-04-03 US disclosed