SCHEMBL9524970

SCHEMBL9524970

O=C(NCc1ccccc1)c1nnc2c(Cl)cc(Cl)cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
EGLN1 Q9GZT9 2/20 0.43
BBOX1 O75936 1/20 0.43
FTO Q9C0B1 1/20 0.43
ADORA2A P29274 1/20 0.43
MAPT P10636 3/20 0.43
CNR1 P21554 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 2/20 0.42
PTGER4 P35408 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9525735 0.86 EGLN1 (0.49) HSP90AA1KMT2ASMN1; SMN2L3MBTL1EGLN1
SCHEMBL9523469 0.82 EGLN1 (0.45) HSP90AA1KMT2ASMN1; SMN2L3MBTL1EGLN1
SCHEMBL9525718 0.82 TP53 (0.47) HSP90AA1KMT2AEGLN1BBOX1FTO
SCHEMBL9524703 0.81 GPR27 (0.46) HSP90AA1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL9527385 0.79 MEN1 (0.52) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL9527944 0.77 NSD2 (0.50) KMT2AL3MBTL1ADORA2AMAPTKDM4E
SCHEMBL9523503 0.75 KCNMA1 (0.50) KMT2ASMN1; SMN2MEN1TP53PKM
SCHEMBL9524520 0.72 LMNA (0.51) KMT2ASMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL9524641 0.72 ALDH1A1 (0.45) KMT2ASMN1; SMN2ADORA2AMAPTPTGER4
SCHEMBL9524438 0.72 MEN1 (0.50) KMT2AADORA2AMEN1TP53MMP13

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