SCHEMBL18640751

SCHEMBL18640751

O=C(Nc1ncccc1C(=O)O)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
CYP1A2 P05177 2/20 0.57
ALDH1A1 P00352 4/20 0.55
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
DHODH Q02127 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 1/20 0.48
TP53 P04637 2/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GFER P55789 1/20 0.48
PTPN2 P17706 1/20 0.48

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
SCHEMBL7059292 0.81 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL3820618 0.77 HTT (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1DHODH
SCHEMBL8797089 0.77 NAMPT (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9538774 0.77 RAB9A (0.69) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL8604699 0.76 DHODH (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL18640728 0.76 DHODH (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL15528812 0.76 MAPK1 (0.71) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL6612630 0.75 HTT (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL23796859 0.74 DHODH (0.53) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL8800517 0.74 KMT2A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1POLB

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-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 EP disclosed
EP-3362436-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS Universiteit Antwerpen (BE) 2018-08-22 EP disclosed
WO-2017046133-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2017-03-23 WO disclosed