SCHEMBL9524416

SCHEMBL9524416

O=C(Nc1nccs1)c1nnc2ccccc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 2/20 0.54
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
METAP2 P50579 1/20 0.53
METAP1 P53582 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.51
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
SCD O00767 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48

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
SCHEMBL11615008 0.80 ALDH1A1 (0.60) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL9525692 0.78 NPC1 (0.56) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL9525679 0.77 NPC1 (0.54) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL9524877 0.76 ADORA3 (0.56) RAB9ALMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL9523892 0.76 HIF1A (0.53) NPC1RAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL11200295 0.74 ALDH1A1 (0.54) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL9523663 0.73 KMT2A (0.53) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10662601 0.73 ALDH1A1 (0.53) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL12258300 0.73 FLT3 (0.60) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL9525647 0.73 RAB9A (0.56) NPC1RAB9AALDH1A1LMNASMN1; SMN2

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