SCHEMBL11834693

SCHEMBL11834693

CC(C)(C)c1ccc(OCCl)cc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
MAOB P27338 4/20 0.33
MAOA P21397 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
AOC3 Q16853 1/20 0.31
SLC7A5 Q01650 2/20 0.31
HTR2A P28223 2/20 0.31
SLC6A4 P31645 2/20 0.31
KCNH2 Q12809 2/20 0.31
AR P10275 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL18120375 0.84 NQO1 (0.46) KIF11MAPTFFAR1
SCHEMBL19532869 0.84 KIF11 (0.36) KIF11CYP11B1CYP11B2MAOBMAOA
SCHEMBL16473860 0.82 PDK2 (0.41) KIF11CYP11B1CYP11B2MAOBPOLB
SCHEMBL15496973 0.81 CYP2C9 (0.44) CYP11B1CYP11B2POLBMAPTSLC7A5
SCHEMBL21718395 0.81 PDK2 (0.40) MAOBMAOAMAPT
SCHEMBL21719068 0.81 KIF11 (0.38) KIF11CYP11B1CYP11B2MAOBPOLB
SCHEMBL1683223 0.81 SMN1; SMN2 (0.45) KIF11MAOBAOC3SLC7A5
SCHEMBL21718946 0.79 BRD4 (0.40) KIF11CYP11B1CYP11B2MAOAFFAR1
SCHEMBL19240122 0.79 MGLL (0.36) KIF11CYP11B1CYP11B2POLBMAPT
SCHEMBL21718991 0.78 AGER (0.43) MAOBMAOAMAPTCYP2D6

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-3981886-A Amino-benzimidazole derivatives E. R. SQUIBB & SONS, INC. (US) 1976-09-21 US disclosed