SCHEMBL9523503

SCHEMBL9523503

O=C(Nc1ccccn1)c1nnc2c(Cl)cc(Cl)cc2c1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.50
GRM5 P41594 4/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.44
HIF1A Q16665 1/20 0.44
RIPK1 Q13546 2/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
CNR2 P34972 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
SCHEMBL9525440 0.86 NPC1 (0.49) KCNMA1GRM5NPC1RAB9AKMT2A
SCHEMBL9524703 0.83 GPR27 (0.46) NPC1RAB9AKMT2AHIF1APKM
SCHEMBL9525753 0.82 KCNMA1 (0.57) KCNMA1GRM5NPC1RAB9AKMT2A
SCHEMBL9524782 0.82 GRM5 (0.47) KCNMA1GRM5NPC1RAB9AKMT2A
SCHEMBL9525648 0.79 RIPK1 (0.47) GRM5NPC1RAB9AKMT2AHIF1A
SCHEMBL10642767 0.78 RIPK1 (0.43) KCNMA1GRM5NPC1RAB9AKMT2A
SCHEMBL9525679 0.76 NPC1 (0.54) GRM5NPC1RAB9AKMT2AGAA
SCHEMBL9524970 0.75 HSP90AA1 (0.47) KMT2ATP53PKMMEN1SMN1; SMN2
SCHEMBL9527689 0.73 NPC1 (0.46) KCNMA1GRM5NPC1RAB9AKMT2A
SCHEMBL9525699 0.73 GRM5 (0.46) GRM5NPC1RAB9AKMT2AGAA

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