SCHEMBL876563

SCHEMBL876563

CC1(C)OB(c2ccc(NC(=O)c3cc4cccnc4s3)cc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.48
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
PDGFRB P09619 3/20 0.42
KDR P35968 3/20 0.42
CXCR2 P25025 1/20 0.41
AKT1 P31749 1/20 0.39
MAPT P10636 5/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5516018 0.79 MAPT (0.58) CHRNA7KDRMAPTPOLBLMNA
SCHEMBL5531762 0.78 ALDH1A1 (0.56) CHRNA7MAPTLMNAMEN1KMT2A
SCHEMBL16752309 0.76 NPC1 (0.56) CA1CA2CA9KDRMAPT
SCHEMBL5529446 0.76 LMNA (0.59) CHRNA7MAPTLMNATDP1MEN1
SCHEMBL28912971 0.72 ROCK2 (0.59) CA1CA2CA9CXCR2MAPT
SCHEMBL2431198 0.71 CA1 (0.51) CA1CA2CA9PDGFRBKDR
SCHEMBL2380346 0.71 RAB9A (0.52) MAPTLMNATDP1MEN1KMT2A
SCHEMBL874680 0.70 NPC1 (0.46) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL257797 0.70 CA1 (0.68) CA1CA2CA9CXCR2MAPT
SCHEMBL1335382 0.70 NPC1 (0.65) MAPTLMNAMEN1KMT2ANPC1

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
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