SCHEMBL9525692

SCHEMBL9525692

Cc1csc(NC(=O)c2nnc3ccccc3c2O)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.56
RAB9A P51151 8/20 0.56
HTT P42858 3/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
HSD17B10 Q99714 1/20 0.56
RCE1 Q9Y256 1/20 0.56
KMT2A Q03164 5/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.53

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
SCHEMBL9524416 0.78 NPC1 (0.55) NPC1RAB9AHTTHPGDKDM4E
SCHEMBL9523704 0.78 GRM5 (0.58) NPC1RAB9AHTTHPGDKDM4E
SCHEMBL9524942 0.76 HPGD (0.49) NPC1RAB9AHTTHPGDKDM4E
SCHEMBL9527950 0.76 PTGER4 (0.50) NPC1HTTALDH1A1GAAKMT2A
SCHEMBL9524562 0.76 ADORA3 (0.59) NPC1RAB9AHTTKDM4ETP53
SCHEMBL9524877 0.74 ADORA3 (0.56) RAB9AHTTHPGDKDM4EL3MBTL1
SCHEMBL12258302 0.74 CSNK2A1 (0.67) NPC1RAB9AHTTHPGDKDM4E
SCHEMBL1270190 0.73 NPC1 (1.00) NPC1RAB9AHTTHPGDKDM4E
SCHEMBL9527446 0.73 ADORA3 (0.51) RAB9AKMT2AMEN1MAPTLMNA
SCHEMBL9524412 0.73 ADORA3 (0.54) NPC1RAB9AKDM4EALDH1A1L3MBTL1

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