SCHEMBL5083012

SCHEMBL5083012

Cc1ccc(N)c(C)c1.Cc1cccc(C)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.56
TDP1 Q9NUW8 7/20 0.52
CYP3A4 P08684 5/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALOX15 P16050 2/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 6/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
MAPK1 P28482 3/20 0.43
ACHE P22303 1/20 0.42
NPC1 O15118 2/20 0.41
MAPT P10636 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
SCHEMBL29366708 0.88
SCHEMBL33980 0.88
SCHEMBL11239230 0.85 TDP1 (0.62) TDP1CYP3A4TP53SMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL6141790 0.85 TDP1 (0.62) TDP1CYP3A4TP53SMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL2861056 0.85 TDP1 (0.62) TDP1CYP3A4TP53SMN1; SMN2ALOX15
Fluoride SCHEMBL18789317 0.85 TDP1 (0.62) TDP1CYP3A4TP53SMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL27406515 0.85 TDP1 (0.62) TDP1CYP3A4TP53SMN1; SMN2ALOX15
Ammonia Solution, Strong SCHEMBL1548755 0.85 TDP1 (0.62) TDP1CYP3A4TP53SMN1; SMN2ALOX15
SCHEMBL10830774 0.85 CYP3A4 (0.50) CD44TDP1CYP3A4TP53SMN1; SMN2
Methyl Alcohol SCHEMBL11681113 0.83 TDP1 (0.59) TDP1CYP3A4TP53SMN1; SMN2ALOX15

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-20080177002-A1 Thermoplastic Resin Composition, Optical Film, And Process For Producing Film JSR CORPORATION (JP) 2008-07-24 US disclosed