SCHEMBL9513564

SCHEMBL9513564

C=C(C=O)Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CTBP2 P56545 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
LMNA P02545 2/20 0.42
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 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
SCHEMBL9513630 0.79 ALDH1A1 (0.42) MAPTHPGDLMNAALDH1A1EGFR
SCHEMBL9516170 0.79 TGM2 (0.42) MAPTMEN1KMT2AHPGDNPC1
SCHEMBL1593360 0.79 SMN1; SMN2 (0.47) KMT2ARAB9ACTBP2LMNAALDH1A1
SCHEMBL9515104 0.79 CTBP2 (0.43) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL9513745 0.79 TYR (0.44) MEN1KMT2AMAPK1NPC1RAB9A
SCHEMBL3485127 0.78 CES1 (0.50) MAPTMEN1KMT2ACYP3A4MAPK1
SCHEMBL11519547 0.77 NPC1 (0.48) PIK3CAMAPTMEN1KMT2ACYP3A4
SCHEMBL10624071 0.76 NPC1 (0.47) PIK3CAMAPTMEN1KMT2ACYP3A4
Water SCHEMBL11514892 0.75 NPC1 (0.47) PIK3CAMAPTMEN1KMT2ACYP3A4
SCHEMBL9817167 0.75 HTT (0.53) MAPTCYP3A4NPC1CTBP2LMNA

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