SCHEMBL873644

SCHEMBL873644

O=C(NCCN1CCCCC1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
MAPT P10636 6/20 0.61
NPC1 O15118 3/20 0.61
LMNA P02545 3/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
TSHR P16473 1/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL874264 0.84 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL7255383 0.77 RAB9A (1.00) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL27759320 0.76 MAPT (0.71) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL5446779 0.74 DPP7 (0.49) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL26758003 0.74 LMNA (0.60) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL5485425 0.73 POLB (0.65) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL874641 0.73 LMNA (0.49) ALDH1A1MAPTLMNASMN1; SMN2PKM
SCHEMBL5453726 0.73 DPP7 (0.50) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL1317535 0.72 MAPT (0.54) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL14574150 0.72 ALDH1A1 (0.81) ALDH1A1MAPTLMNASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed