SCHEMBL9525440

SCHEMBL9525440

O=C(Nc1ccccn1)c1nnc2c(Cl)cccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
HIF1A Q16665 1/20 0.49
GRM5 P41594 6/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
KCNMA1 Q12791 1/20 0.46
RIPK1 Q13546 1/20 0.45
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.43
KDM4A O75164 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL10642767 0.88 RIPK1 (0.43) NPC1RAB9AHIF1AGRM5KMT2A
SCHEMBL9524782 0.87 GRM5 (0.47) NPC1RAB9AHIF1AGRM5KMT2A
SCHEMBL9523503 0.86 KCNMA1 (0.50) NPC1RAB9AHIF1AGRM5KMT2A
SCHEMBL9527884 0.82 POLB (0.45) NPC1RAB9AHIF1AKMT2AMEN1
SCHEMBL9525679 0.81 NPC1 (0.54) NPC1RAB9AHIF1AGRM5KMT2A
SCHEMBL9525753 0.77 KCNMA1 (0.57) NPC1RAB9AHIF1AGRM5KMT2A
SCHEMBL9524579 0.77 HIF1A (0.54) NPC1RAB9AHIF1AKMT2AMEN1
SCHEMBL9524359 0.77 MEN1 (0.49) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL9525648 0.76 RIPK1 (0.47) NPC1RAB9AHIF1AGRM5KMT2A
SCHEMBL9525735 0.75 EGLN1 (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1

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 2 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