SCHEMBL5547599

SCHEMBL5547599

O=C(c1ccccn1)[N+]1(c2ccccc2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
2-Picolinic Acid SCHEMBL25335049 0.74 L3MBTL1 (0.77) KMT2AL3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL2490829 0.70 L3MBTL1 (0.69) KMT2AL3MBTL1LMNANAPRTP4HTM
Piperazine SCHEMBL28152024 0.69 CES2 (0.53) KMT2AL3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL4088787 0.68 L3MBTL1 (0.71) KMT2AL3MBTL1LMNANAPRTP4HTM
Piperazine SCHEMBL28148055 0.68 CES2 (0.52) KMT2AL3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL1462616 0.67 LMNA (0.95) KMT2AL3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL29360523 0.67 LMNA (0.95) KMT2AL3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL673571 0.67 LMNA (0.95) KMT2AL3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL674979 0.67 LMNA (0.95) KMT2AL3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL29480469 0.67 LMNA (0.95) KMT2AL3MBTL1LMNANAPRTP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed