SCHEMBL2931604

SCHEMBL2931604

Nc1nccc(Sc2ccc(NC(=O)O)cc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.43
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 5/20 0.41
KDR P35968 4/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PAX8 Q06710 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL2931600 1.00 LMNA (0.43) LMNAMAPTSMN1; SMN2HTTKDR
SCHEMBL2935810 0.83 PRMT1 (0.49) LMNAMAPTSMN1; SMN2HTTMEN1
SCHEMBL9909776 0.82 LMNA (0.61) LMNAMAPTSMN1; SMN2HTTHPGD
SCHEMBL7228451 0.76 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2HTTMEN1
SCHEMBL2937189 0.76 PDGFRA (0.45) LMNAMAPTSMN1; SMN2KDRMEN1
SCHEMBL2937186 0.76 PDGFRA (0.45) LMNAMAPTSMN1; SMN2KDRMEN1
SCHEMBL9909775 0.71 MAPT (0.42) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3842300 0.70 LMNA (0.48) LMNAMAPTSMN1; SMN2HTTKDR
SCHEMBL3842301 0.70 LMNA (0.48) LMNAMAPTSMN1; SMN2HTTKDR
SCHEMBL4464904 0.70 SMN1; SMN2 (0.42) LMNAMAPTSMN1; SMN2HTTKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229391-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-22 EP disclosed
WO-2009077766-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-06-25 WO disclosed