SCHEMBL28092501

SCHEMBL28092501

CCOc1c(N)ccc(C)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 3/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
S100B P04271 1/20 0.35
NQO1 P15559 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL6649379 0.82 L3MBTL1 (0.41) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL7047176 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL27514230 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL22701125 0.80 NQO1 (0.36) ALDH1A1HSD17B10MAPTKDM4EL3MBTL1
SCHEMBL27571353 0.79 MAPT (0.52) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL14190820 0.78 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTKDM4EL3MBTL1
SCHEMBL16979118 0.78 ELANE (0.33) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL16545827 0.77 HTR2A (0.37) ALDH1A1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL28092354 0.77 MEN1 (0.40) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL28092350 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10MEN1KMT2AMAPT

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
CN-105849082-A Method for producing nitro compound 住友化学株式会社 2016-08-10 CN disclosed