SCHEMBL9524941

SCHEMBL9524941

O=C(Nc1ccccn1)c1nnc2ccc([N+](=O)[O-])cc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TP53 P04637 2/20 0.56
NPC1 O15118 8/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.48
STAT1 P42224 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
ADAM17 P78536 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46
GRM5 P41594 1/20 0.43
HIF1A Q16665 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
SCHEMBL9524630 0.84 MEN1 (0.51) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9527689 0.82 NPC1 (0.46) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9525699 0.82 GRM5 (0.46) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9523697 0.82 GRM5 (0.52) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9525753 0.82 KCNMA1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9525679 0.81 NPC1 (0.54) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9524202 0.79 F2 (0.56) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9524642 0.79 KDM4E (0.45) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9523598 0.79 LRRK2 (0.46) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL9525598 0.77 KMT2A (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E

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