SCHEMBL11070658

SCHEMBL11070658

Cc1ccccc1OC(CCc1ccc(OC(C)(C)C)cc1)Cn1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TBXAS1 P24557 3/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HMOX1 P09601 1/20 0.39

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
SCHEMBL11079547 0.90 TBXAS1 (0.45) MEN1MAPK1KMT2ALMNATBXAS1
SCHEMBL11078515 0.89 ALDH1A1 (0.45) MEN1MAPK1KMT2ALMNATBXAS1
SCHEMBL11076310 0.89 TBXAS1 (0.43) MEN1MAPK1KMT2ALMNATBXAS1
SCHEMBL11067638 0.89 TBXAS1 (0.53) MEN1MAPK1KMT2ATBXAS1ALDH1A1
SCHEMBL11076362 0.88 TDP1 (0.45) MEN1MAPK1KMT2ATBXAS1CYP11B1
SCHEMBL11081326 0.82 ALDH1A1 (0.48) MEN1MAPK1KMT2ALMNATBXAS1
SCHEMBL11071440 0.82 IDO1 (0.44) MEN1KMT2ALMNATBXAS1ALDH1A1
SCHEMBL11071083 0.82 CYP3A4 (0.53) MEN1KMT2ALMNATBXAS1ALDH1A1
SCHEMBL11077224 0.80 TBXAS1 (0.55) MEN1MAPK1KMT2ALMNATBXAS1
SCHEMBL11073598 0.80 TBXAS1 (0.50) MEN1MAPK1KMT2ATBXAS1ALDH1A1

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-0005980-B1 DERIVATIVES OF SUBSTITUTED N-ALKYL IMIDAZOLES, THEIR PREPARATION AND THESE COMPOUNDS FOR PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed
US-4213991-A BACTERICIDES, FUNGICIDES, ANTIPROTOZOA SYNTEX (U.S.A.) INC. (US) 1980-07-22 US disclosed