SCHEMBL4039619

SCHEMBL4039619

NC(=O)Oc1[nH]c2cccnc2c1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 3/20 0.46
PARP1 P09874 1/20 0.40
RAB9A P51151 4/20 0.38
NPC1 O15118 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDR P35968 1/20 0.36
TYMS P04818 4/20 0.36
GAA P10253 1/20 0.36
KLF5 Q13887 1/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
DHFR P00374 1/20 0.35

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
SCHEMBL4207716 0.89 MAPT (0.42) MAPTSMN1; SMN2LMNAPARP1RAB9A
SCHEMBL4035502 0.85 TUBB4A (0.39) SMN1; SMN2LMNAPARP1ALDH1A1MEN1
SCHEMBL4035489 0.84 SLC6A4 (0.43) SMN1; SMN2LMNAPARP1RAB9AL3MBTL1
SCHEMBL4032967 0.84 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL4033192 0.84 PKN1 (0.38) PARP1MEN1KMT2ATYMS
SCHEMBL4035321 0.84 MAPT (0.49) MAPTSMN1; SMN2LMNAPARP1RAB9A
SCHEMBL4034008 0.79 LMNA (0.37) LMNAPARP1KMT2A
SCHEMBL4036370 0.78 PARP1 (0.37) PARP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4033284 0.78 PTGS1 (0.37) LMNAPARP1RAB9ANPC1L3MBTL1
SCHEMBL4033058 0.77 TYMS (0.37) RAB9ANPC1PKMALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP claimed