SCHEMBL8804574

SCHEMBL8804574

CSc1ccccc1C(=O)Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
SLC2A1 P11166 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7981204 0.80 CTNNB1 (0.60) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL17985011 0.78 KDM4E (0.60) RAB9ANPC1KDM4EMAPTLMNA
SCHEMBL3452522 0.76 RAB9A (0.62) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL15942043 0.76 RAB9A (0.54) RAB9ANPC1KDM4EMAPTLMNA
SCHEMBL3452459 0.76 RAB9A (0.62) RAB9ANPC1KDM4EMAPTIDO1
Iodide SCHEMBL6263376 0.76 KDM4E (0.59) RAB9ANPC1KDM4EMAPTLMNA
SCHEMBL5948745 0.76 RAB9A (0.66) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL27332292 0.75 NAPRT (0.54) RAB9ANPC1KDM4EMAPTLMNA
SCHEMBL11618954 0.75 RAB9A (0.49) RAB9ANPC1KDM4EMAPTLMNA
SCHEMBL11623530 0.74 RAB9A (0.51) RAB9ANPC1KDM4EMAPTLMNA

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
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed