SCHEMBL9523541

SCHEMBL9523541

CC(C)(C)c1ccc2nnc(C(=O)Nc3cccc(F)c3)c(O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
MTOR P42345 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KCNK9 Q9NPC2 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
KCNK3 O14649 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) LRRK2NPC1RAB9AMAPTLMNA
SCHEMBL9523845 0.88 LRRK2 (0.50) LRRK2NPC1MAPTLMNAHDAC3
SCHEMBL9523580 0.87 NPC1 (0.49) NPC1RAB9AHPGDMAPTLMNA
SCHEMBL9524507 0.87 P2RX1 (0.50) LRRK2NPC1RAB9AMAPTLMNA
SCHEMBL9524788 0.85 KCNK3 (0.49) NPC1RAB9AHPGDMAPTLMNA
SCHEMBL9525061 0.84 RAB9A (0.51) NPC1RAB9AHPGDMAPTLMNA
SCHEMBL9527182 0.83 NPC1 (0.52) NPC1RAB9AHPGDMAPTLMNA
SCHEMBL9524171 0.83 MAPT (0.49) NPC1RAB9AHPGDMAPTMEN1
SCHEMBL9525537 0.81 KCNK3 (0.49) NPC1RAB9AHPGDMAPTLMNA
SCHEMBL9524293 0.79 TP53 (0.46) NPC1RAB9AHPGDKCNK9MEN1

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