SCHEMBL13800905

SCHEMBL13800905

CCCCOC(=O)c1nnc(N)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
TSHR P16473 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
ESR1 P03372 4/20 0.42
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL13800984 0.90 MAPT (0.44) LMNATSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL283280 0.83 ALDH1A1 (0.52) LMNATSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL12350733 0.82 TSHR (0.45) LMNATSHRCYP1A2CYP2C19CYP3A4
SCHEMBL12536605 0.82 ALDH1A1 (0.44) TSHRCYP1A2ALDH1A1HSD17B10MAPT
SCHEMBL27988043 0.81 ALDH1A1 (0.53) LMNATSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL12350752 0.77 TSHR (0.46) LMNATSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL12350740 0.76 ALDH1A1 (0.47) LMNATSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL28293724 0.76 LMNA (0.50) LMNATSHRCYP1A2CYP2C19CYP3A4
SCHEMBL5503949 0.75 RAB9A (0.43) LMNATSHRCYP1A2CYP2C19CYP3A4
SCHEMBL28529222 0.75 RAB9A (0.65) LMNATSHRCYP1A2CYP2C19CYP3A4

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-2070989-A1 METAL-CHELATE AZO DYE AND OPTICAL RECORDING MEDIUM Mitsubishi Kagaku Media Co., Ltd. (JP) 2009-06-17 EP disclosed