SCHEMBL29517255

SCHEMBL29517255

O=C(O)c1cccc(-n2cccc2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALB P02768 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
TTR P02766 1/20 0.44
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOTUM Q6P988 1/20 0.41
KMT2A Q03164 1/20 0.41
MYC P01106 2/20 0.41
NR4A1 P22736 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
SCHEMBL5789460 0.84 ALDH1A1 (0.49) LMNAALDH1A1CYP2C9CYP2C19L3MBTL1
SCHEMBL29671348 0.80 ALDH1A1 (0.61) LMNAALDH1A1ALOX15CYP2C9CYP2C19
SCHEMBL228778 0.80 ALDH1A1 (0.61) LMNAALDH1A1ALOX15CYP2C9CYP2C19
SCHEMBL7441090 0.79 ALDH1A1 (0.50) LMNAALDH1A1ALOX15CYP2C9CYP2C19
Lithium SCHEMBL31310856 0.79 ALDH1A1 (0.59) LMNAALDH1A1ALOX15CYP2C9CYP2C19
SCHEMBL7773542 0.78 G6PD (0.53) LMNAALDH1A1ALOX15CYP2C9CYP2C19
SCHEMBL11173849 0.78 MYC (0.51) LMNAALDH1A1ALOX15CYP2C9CYP2C19
SCHEMBL336107 0.77 ALDH1A1 (0.60) ALDH1A1ALOX15ALBPOLBKDM4E
SCHEMBL30740619 0.75 TTR (0.58) ALDH1A1ALOX15ALBMRGPRX4TTR
SCHEMBL22045254 0.74 TP53 (0.53) ALDH1A1ALOX15CYP2C9CYP2C19ALB

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-3965893-A1 NEW THERAPEUTIC VECTORS AND PRODRUGS FOR TREATING CANCERS Seekyo (FR) 2022-03-16 EP disclosed