SCHEMBL9516170

SCHEMBL9516170

C=C(C=O)Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL9513630 0.79 ALDH1A1 (0.42) SMN1; SMN2HPGDEGFRLMNAMAPT
SCHEMBL9513564 0.79 PIK3CA (0.44) MEN1KMT2ANPC1HPGDL3MBTL1
SCHEMBL1593360 0.79 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2EGFRERBB2LMNA
SCHEMBL9515104 0.79 CTBP2 (0.43) MEN1KMT2ANPC1SMN1; SMN2HPGD
SCHEMBL3485127 0.78 CES1 (0.50) MEN1KMT2AL3MBTL1LMNAHTT
SCHEMBL17802296 0.77 MEN1 (0.46) TGM2MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9817167 0.75 HTT (0.53) NPC1SMN1; SMN2LMNAHTTMAPT
SCHEMBL17599981 0.75 ALDH1A1 (0.47) MEN1KMT2ANPC1SMN1; SMN2HPGD
SCHEMBL9513745 0.75 TYR (0.44) MEN1KMT2ANPC1SMN1; SMN2L3MBTL1
SCHEMBL8858040 0.73 MEN1 (0.41) MEN1KMT2ANPC1SMN1; SMN2HPGD

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
EP-0274379-B1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 US disclosed
EP-0274379-A2 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-13 EP disclosed