SCHEMBL7659424

SCHEMBL7659424

NC(=O)C([C]=O)=Cc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MCL1 Q07820 1/20 0.40
HSP90AA1 P07900 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM4 Q14833 1/20 0.37

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
SCHEMBL7659420 1.00 TDP1 (0.46) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL25670655 0.85 MCL1 (0.58) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7668045 0.85 TDP1 (0.51) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7668047 0.85 TDP1 (0.51) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7977373 0.83 TDP1 (0.46) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7977371 0.83 TDP1 (0.46) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL6641040 0.83 TDP1 (0.42) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL6641035 0.83 TDP1 (0.42) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7664352 0.81 TDP1 (0.50) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7664358 0.81 TDP1 (0.50) TDP1RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed