SCHEMBL6587736

SCHEMBL6587736

COc1ccc(C)cc1N/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.57
KMT2A Q03164 10/20 0.57
MAPT P10636 6/20 0.57
ALDH1A1 P00352 2/20 0.57
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 2/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL6587740 1.00 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL6080904 0.90 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL6587522 0.89 EPHX1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6585742 0.89 EPHX1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6587809 0.84 KMT2A (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6587807 0.84 KMT2A (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL862532 0.81 TSHR (0.70) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL6586201 0.81 CREBBP (0.41) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6080072 0.79 EPHX1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28605651 0.79 KMT2A (0.52) MEN1KMT2AMAPTALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed