SCHEMBL11777500

SCHEMBL11777500

CC(C)c1cncn1-c1ccc(F)cc1C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ SPR P35270 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL11814050 0.85 MAPK14 (0.41) MAPK14RAB9ANPC1SPRHPGD
SCHEMBL11847158 0.76 MAPK14 (0.39) MAPK14RAB9ANPC1SPRHPGD
SCHEMBL11863573 0.74 MAPK14 (0.43) MAPK14RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL11775302 0.73 CYP19A1 (0.46) MAPK14RAB9ANPC1ALDH1A1MAPT
SCHEMBL7471841 0.71 MAPK14 (0.44) MAPK14RAB9ANPC1SMN1; SMN2HSP90AA1
SCHEMBL11776854 0.71 ALDH1A1 (0.54) RAB9ANPC1HPGDSMN1; SMN2HSP90AA1
SCHEMBL11820065 0.71 MAPK13 (0.42) MAPK14MAPTTP53
SCHEMBL11775812 0.71 HPGD (0.40) MAPK14HPGDALDH1A1MAPTTP53
SCHEMBL11810248 0.69 PDE4A (0.42) MAPK14RAB9ANPC1SPRHPGD
SCHEMBL11777810 0.69 MYC (0.49) MAPK14HSP90AA1ALDH1A1ATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3992400-A 1-(α-Phenyl-o-tolyl)imidazoles THE UPJOHN COMPANY (US) 1976-11-16 — — US disclosed
US-3941803-A 2-(Imidazol-1-yl)benzophenones THE UPJOHN COMPANY (US) 1976-03-02 — — US disclosed
US-3941802-A 2-(Imidazol-1-yl)benzophenones THE UPJOHN COMPANY (US) 1976-03-02 — — US disclosed
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