SCHEMBL874281

SCHEMBL874281

CCN(C(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nc1Nc1ccccc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CHRNA7 P36544 2/20 0.37
SLC6A9 P48067 2/20 0.37
SLC6A5 Q9Y345 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
SYK P43405 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
NAMPT P43490 1/20 0.34
IDO1 P14902 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL873722 0.91 RXFP1 (0.38) RAB9ARXFP1CHRNA7SLC6A9SLC6A5
SCHEMBL873821 0.86 NAMPT (0.39) RAB9ACHRNA7ALDH1A1MAPTMEN1
SCHEMBL874280 0.83 BCHE (0.39) RAB9ACHRNA7ALDH1A1MAPTMEN1
SCHEMBL874835 0.81 MEN1 (0.43) RAB9ACHRNA7ALDH1A1MAPTMEN1
SCHEMBL873866 0.79 CHRNA7 (0.42) RAB9ARXFP1CHRNA7ALDH1A1GAA
SCHEMBL873820 0.78 ATR (0.46) CHRNA7MEN1KMT2ANPSR1NAMPT
SCHEMBL875501 0.78 CHRNA7 (0.40) CHRNA7MAPTSYKNAMPTSMN1; SMN2
SCHEMBL874483 0.78 RAB9A (0.40) RAB9ARXFP1CHRNA7SLC6A9SLC6A5
SCHEMBL873584 0.78 KMT2A (0.40) RAB9ARXFP1ALDH1A1MAPTMEN1
SCHEMBL874083 0.77 KDM4E (0.38) RAB9ARXFP1CHRNA7ALDH1A1MAPT

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