SCHEMBL9735520

SCHEMBL9735520

Clc1cccc(C=NNc2ccccn2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.58
NPC1 O15118 7/20 0.58
GAA P10253 3/20 0.58
SMN1; SMN2 Q16637 8/20 0.56
LMNA P02545 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.51
CASP3 P42574 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
MAPK1 P28482 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
PAX8 Q06710 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MITF O75030 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL29631623 0.82 PAX8 (0.65) RAB9ANPC1GAASMN1; SMN2LMNA
SCHEMBL8342118 0.82 PAX8 (0.65) RAB9ANPC1GAASMN1; SMN2LMNA
SCHEMBL5051613 0.82 PAX8 (0.65) RAB9ANPC1GAASMN1; SMN2LMNA
SCHEMBL28643368 0.82 RAB9A (0.58) RAB9ANPC1GAASMN1; SMN2LMNA
SCHEMBL6714490 0.82 RAB9A (0.55) RAB9ANPC1GAASMN1; SMN2LMNA
SCHEMBL6714484 0.82 RAB9A (0.55) RAB9ANPC1GAASMN1; SMN2LMNA
SCHEMBL28952987 0.80 PAX8 (0.70) RAB9ANPC1GAASMN1; SMN2LMNA
SCHEMBL4927052 0.77 PAX8 (0.70) RAB9ANPC1GAASMN1; SMN2LMNA
SCHEMBL30587491 0.75 SMN1; SMN2 (0.60) RAB9ANPC1GAASMN1; SMN2LMNA
SCHEMBL12720910 0.74 RAB9A (0.58) RAB9ANPC1GAASMN1; SMN2LMNA

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
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 US disclosed
EP-0313630-A1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. DEUTSCHES AUSSATZIGEN HILFSWER (DE) 1989-05-03 EP disclosed