SCHEMBL11630759

SCHEMBL11630759

O=C(OC(C(=O)O)c1ccccc1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
OPRK1 P41145 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.46
GSK3B P49841 1/20 0.45
MITF O75030 2/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
CDK5 Q00535 1/20 0.43

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
SCHEMBL27413921 0.88 ALDH1A1 (0.51) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL11535859 0.83 LMNA (0.53) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL30731163 0.76 KMT2A (0.58) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL9944382 0.76 KMT2A (0.58) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL14060127 0.76 CES2 (0.53) LMNAL3MBTL1NAPRTP4HTMCES2
SCHEMBL21473833 0.75 TSHR (0.62) LMNAL3MBTL1KMT2AALDH1A1TDP1
SCHEMBL11777806 0.75 MEN1 (0.59) LMNAL3MBTL1KMT2AALDH1A1NPC1
SCHEMBL8462360 0.75 TSHR (0.62) LMNAL3MBTL1KMT2AALDH1A1TDP1
SCHEMBL11632540 0.75 MEN1 (0.49) L3MBTL1NAPRTKMT2AALDH1A1SMN1; SMN2
SCHEMBL29179770 0.75 ALDH1A1 (0.51) LMNAL3MBTL1NAPRTP4HTMCES2

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-4085277-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-18 US disclosed
US-4001225-A Pyridyl substituted 7-αesters of 3 heterothio 7-acetamido cephalosporanic acids FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-01-04 US disclosed
US-4000133-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-12-28 US disclosed