SCHEMBL9523732

SCHEMBL9523732

O=C(NCCc1ccccc1)c1nnc2ccccc2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
GPR139 Q6DWJ6 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HTT P42858 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL9527944 0.87 NSD2 (0.50) ALDH1A1L3MBTL1GAAMAPTADORA2A
SCHEMBL31372088 0.82 EGLN1 (0.62)
SCHEMBL821644 0.82 EGLN1 (0.62)
SCHEMBL9527401 0.81 TSHR (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL9524590 0.80 RAD52 (0.49) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL9525682 0.79 NAAA (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL9525892 0.79 NAAA (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL9523698 0.78 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9525642 0.78 KDM4E (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL9524829 0.78 HTT (0.56) RAB9ANPC1ALDH1A1MEN1KMT2A

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