SCHEMBL9524822

SCHEMBL9524822

O=C(Nc1cccc([N+](=O)[O-])c1)c1nnc2ccccc2c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.60
KMT2A Q03164 8/20 0.58
MEN1 O00255 7/20 0.58
POLB P06746 6/20 0.58
MAPT P10636 6/20 0.58
RAB9A P51151 3/20 0.58
TNF P01375 2/20 0.58
LMNA P02545 2/20 0.58
NOD1 Q9Y239 2/20 0.58
NPC1 O15118 2/20 0.58
BLM P54132 1/20 0.54
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLA1 P09884 1/20 0.53
THRB P10828 1/20 0.53
CTDSP1 Q9GZU7 2/20 0.52
DDX3X O00571 1/20 0.52
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL9527318 0.87 MEN1 (0.53) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL9523815 0.87 P2RX1 (0.59) HIF1AKMT2AMEN1POLBMAPT
SCHEMBL9524630 0.85 MEN1 (0.51) HIF1AKMT2AMEN1POLBMAPT
SCHEMBL9524669 0.81 KMT2A (0.50) HIF1AKMT2AMEN1POLBMAPT
SCHEMBL9524877 0.81 ADORA3 (0.56) HIF1AKMT2AMEN1POLBMAPT
SCHEMBL9524794 0.81 ADORA3 (0.48) HIF1AMAPTDDX3XALDH1A1SMN1; SMN2
SCHEMBL9523679 0.81 P2RX1 (0.52) KMT2AMEN1RAB9ALMNANPC1
SCHEMBL9527182 0.81 NPC1 (0.52) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL9524321 0.81 FLT3 (0.57) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL9527500 0.81 ABCG2 (0.51) KMT2AMEN1POLBMAPTRAB9A

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 5 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
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