SCHEMBL11565008

SCHEMBL11565008

Cc1ccc(-n2cnc(C)c(C(=O)O)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GRM1 Q13255 6/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HCAR1 Q9BXC0 1/20 0.43
LMNA P02545 2/20 0.43
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
CYP11B2 P19099 1/20 0.40
HTT P42858 1/20 0.39
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39

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
SCHEMBL11564209 0.89 HTT (0.46) SMN1; SMN2MEN1KMT2APOLBTDP1
SCHEMBL23147211 0.88 PTGS2 (0.45) KMT2AGRM1L3MBTL1HCAR1LMNA
SCHEMBL11562309 0.88 RAB9A (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Ammonia Solution, Strong SCHEMBL11559116 0.87 RAB9A (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11560097 0.85 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Ammonia Solution, Strong SCHEMBL11565675 0.84 KMT2A (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11560398 0.81 MEN1 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29812449 0.75 PTGS2 (0.44) GRM1L3MBTL1HCAR1ESR1ESR2
SCHEMBL11564507 0.74 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11560437 0.74 RAB9A (0.46) SMN1; SMN2NPC1RAB9AGRM1ESR1

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