SCHEMBL3523482

SCHEMBL3523482

CCc1nc(-c2ccc3c(c2)OCO3)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.60
HSD17B10 Q99714 7/20 0.53
LMNA P02545 7/20 0.53
CYP1A2 P05177 5/20 0.53
CYP3A4 P08684 5/20 0.53
CYP2D6 P10635 5/20 0.53
CYP2C19 P33261 5/20 0.53
USP2 O75604 4/20 0.53
CLK4 Q9HAZ1 4/20 0.53
MEN1 O00255 4/20 0.53
MAPK1 P28482 4/20 0.53
KMT2A Q03164 4/20 0.53
ALOX15 P16050 3/20 0.53
TSHR P16473 3/20 0.53
CYP2C9 P11712 1/20 0.53
TNKS O95271 1/20 0.51
PARP1 P09874 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
TP53 P04637 5/20 0.50
DHODH Q02127 1/20 0.50

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
SCHEMBL3521465 0.87 CHRNA7 (0.46) CHRNA7HSD17B10LMNAMAPK1ALDH1A1
SCHEMBL20344283 0.78 ADORA2A (0.42) LMNACYP1A2TSHRDHODHALDH1A1
SCHEMBL3526738 0.78 POLB (0.52) CHRNA7HSD17B10LMNACYP1A2CYP3A4
SCHEMBL3523491 0.78 CHRNA7 (0.50) CHRNA7HSD17B10LMNACYP1A2CYP3A4
SCHEMBL20035085 0.77 ADORA2A (0.51) LMNAMEN1KMT2ADHODHALDH1A1
SCHEMBL6329097 0.77 NUDT1 (0.55) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL3520562 0.75 CHRNA7 (0.43) CHRNA7MAPK1KDM4EMAPTNPC1
SCHEMBL8816383 0.75 TGFBR1 (0.66) HSD17B10LMNACYP1A2CYP3A4CYP2D6
SCHEMBL6840803 0.74 CLK4 (0.59) HSD17B10LMNACYP1A2CYP3A4CYP2D6
SCHEMBL3523132 0.74 CHRNA7 (0.46) CHRNA7HSD17B10LMNACLK4MAPK1

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
US-7652006-B2 For therapy and prophylaxis of neuronal loss associated with stroke, global and focal ischemia, CNS trauma, hypoglycemia and surgery, for ameliorating neurodegenerative diseases EURO-CELTIQUE S.A. (LU) 2010-01-26 US disclosed