SCHEMBL8970935

SCHEMBL8970935

CC1=Cc2cc(N)ccc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CASP1 P29466 3/20 0.37
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ACHE P22303 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 3/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2A6 P11509 1/20 0.31
KEAP1 Q14145 1/20 0.31

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
SCHEMBL29647889 1.00 ALDH1A1 (0.38) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL28083534 0.86 ALDH1A1 (0.37) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL2047468 0.71 PDK2 (0.34) TSHRACHELMNAPDK2
SCHEMBL17528668 0.70 PDK2 (0.42) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL14439097 0.70 ALDH1A1 (0.40) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL807467 0.70 ALDH1A1 (0.40) ALDH1A1CASP1TSHRCYP3A4PDE10A
Ammonia Solution, Strong SCHEMBL7083566 0.70 PDK2 (0.33) TSHRACHELMNAPDK2
SCHEMBL6561061 0.67 ALDH1A1 (0.33) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL28206824 0.65 PDK2 (0.43) ALDH1A1CASP1TSHRCYP3A4KDM4E
SCHEMBL18745573 0.64 MAPT (0.37) ALDH1A1CASP1KDM4EMAPTGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695213-A1 POLYIMIDE MEMBRANE FOR SEPARATION OF SOLVENTS FROM LUBE OIL W.R. GRACE & CO.-CONN. (US) 1996-02-07 EP disclosed
WO-1994025146-A1 POLYIMIDE MEMBRANE FOR SEPARATION OF SOLVENTS FROM LUBE OIL W. R. GRACE & CO.-CONN. (US) 1994-11-10 WO disclosed