SCHEMBL18640754

SCHEMBL18640754

O=C(Nc1ncccc1C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.65
DHODH Q02127 4/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.53
KDR P35968 1/20 0.53
HTT P42858 1/20 0.53
PABPC1 P11940 1/20 0.52
EIF4H Q15056 1/20 0.52
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
F10 P00742 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
LMNA P02545 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL3820618 0.88 HTT (0.66) RAB9ADHODHMEN1KMT2ASMN1; SMN2
SCHEMBL18640758 0.85 NPC1 (0.61) RAB9ADHODHMEN1KMT2ANPC1
SCHEMBL18640720 0.85 DHODH (0.65) RAB9ADHODHMEN1KMT2ANPC1
SCHEMBL6612630 0.85 HTT (0.56) RAB9ADHODHMEN1KMT2ASMN1; SMN2
SCHEMBL1307493 0.85 DHODH (0.56) RAB9ADHODHMEN1KMT2ASMN1; SMN2
SCHEMBL1307643 0.85 MEN1 (0.63) RAB9ADHODHMEN1KMT2ASMN1; SMN2
SCHEMBL18640743 0.83 HTT (0.61) RAB9ADHODHMEN1KMT2ASMN1; SMN2
SCHEMBL18640742 0.83 DHODH (0.57) RAB9ADHODHMEN1KMT2ANPC1
SCHEMBL4193561 0.82 DHODH (0.51) RAB9ADHODHMEN1KMT2ASMN1; SMN2
SCHEMBL18640731 0.82 RAB9A (0.67) RAB9AMEN1KMT2ASMN1; SMN2NPC1

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