SCHEMBL9525679

SCHEMBL9525679

O=C(Nc1ccccn1)c1nnc2ccccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 9/20 0.54
HIF1A Q16665 1/20 0.54
GRM5 P41594 6/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.49
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9525753 0.85 KCNMA1 (0.57) NPC1RAB9AHIF1AGRM5KDM4E
SCHEMBL9525699 0.85 GRM5 (0.46) NPC1RAB9AHIF1AGRM5KDM4E
SCHEMBL9527689 0.85 NPC1 (0.46) NPC1RAB9AHIF1AGRM5KDM4E
SCHEMBL9523697 0.85 GRM5 (0.52) NPC1RAB9AHIF1AGRM5KDM4E
SCHEMBL9524797 0.83 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL9524642 0.82 KDM4E (0.45) NPC1RAB9AHIF1AGRM5KDM4E
SCHEMBL9523598 0.82 LRRK2 (0.46) NPC1RAB9AHIF1AGRM5KDM4E
SCHEMBL9524202 0.82 F2 (0.56) NPC1RAB9AGRM5ALDH1A1TP53
SCHEMBL9525806 0.82 RAB9A (0.55) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL9523626 0.82 NPC1 (0.54) NPC1RAB9AGRM5KDM4EALDH1A1

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 6 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 claimed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US claimed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP claimed
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