SCHEMBL9523845

SCHEMBL9523845

CC(C)(C)c1ccc2nnc(C(=O)Nc3ccccc3)c(O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
KCNK9 Q9NPC2 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
NAMPT P43490 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
HDAC3 O15379 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
LMNA P02545 1/20 0.41
FLT3 P36888 1/20 0.41
PLG P00747 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 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
SCHEMBL9525125 0.89 MAPT (0.50) LRRK2KDM4EMAPTNPSR1PKM
SCHEMBL9523541 0.88 LRRK2 (0.46) LRRK2KCNK9KDM4EMAPTNPSR1
SCHEMBL9524507 0.88 P2RX1 (0.50) LRRK2MAPTHDAC8HDAC6NR1H4
SCHEMBL9524874 0.84 ADORA3 (0.50) KDM4EMAPTNPSR1NPC1HTT
SCHEMBL9523598 0.84 LRRK2 (0.46) LRRK2KDM4EMAPTNPC1HTT
SCHEMBL9525587 0.84 ADORA3 (0.47) KDM4EMAPTNPC1SMN1; SMN2ADORA3
SCHEMBL9525577 0.81 ADORA3 (0.49) MAPTNPC1ADORA3LMNAFLT3
SCHEMBL9524344 0.81 TMPRSS4 (0.51) KDM4ENPSR1PKMNPC1HTT
SCHEMBL9524293 0.81 TP53 (0.46) KCNK9NPC1HTTSMN1; SMN2ADORA3
SCHEMBL9524233 0.81 DHODH (0.54) KCNK9MAPTHDAC6NPC1HTT

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
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed