SCHEMBL27993294

SCHEMBL27993294

Cc1nn(-c2ccc([N+](=O)[O-])cc2O)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 5/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
POLB P06746 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL27920240 0.79 MAPT (0.62) SMN1; SMN2MAPK1GPR35KDM4EMEN1
SCHEMBL27993082 0.78 CASP1 (0.47) SMN1; SMN2ALDH1A1KDM4ETSHRNPC1
SCHEMBL17255708 0.75 LMNA (0.50) SMN1; SMN2MAPK1ALDH1A1KDM4ETSHR
SCHEMBL15442859 0.74 MYC (0.55) SMN1; SMN2ALDH1A1KDM4ETDP1NPC1
SCHEMBL10347993 0.72 ALDH1A1 (0.50) SMN1; SMN2MAPK1GPR35ALDH1A1KDM4E
SCHEMBL368384 0.72 GPR35 (0.44) SMN1; SMN2MAPK1GPR35ALDH1A1TSHR
SCHEMBL61902 0.71 ALDH1A1 (0.67) SMN1; SMN2MAPK1GPR35ALDH1A1KDM4E
SCHEMBL16761057 0.71 CA12 (0.50) SMN1; SMN2ALDH1A1KDM4ETDP1NPC1
SCHEMBL17255678 0.71 KDM4E (0.47) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL28102000 0.71 HSD17B10 (0.51) SMN1; SMN2ALDH1A1KDM4ETSHRTDP1

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-104661661-A External liquid preparation for resisting trichophytosis MEIJI SEIKA PHARMA CO LTD 2015-05-27 CN disclosed