SCHEMBL3784090

SCHEMBL3784090

CC(C)(N)c1ccc(-n2ncc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.55
▸ CYP11B1 P15538 4/20 0.55
▸ MGAM O43451 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SI P14410 1/20 0.47
▸ MGAM2 Q2M2H8 1/20 0.47
▸ NR3C1 P04150 10/20 0.47
▸ PGR P06401 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40

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
SCHEMBL30491750 0.84 NR3C1 (0.52) CYP11B2CYP11B1MGAMGAASI
SCHEMBL20603936 0.78 MGAM (0.49) CYP11B2CYP11B1MGAMGAASI
SCHEMBL29496843 0.78 NPC1 (0.61) CYP11B2CYP11B1MGAMGAASI
SCHEMBL30270004 0.77 KDM4E (0.56) CYP11B2CYP11B1MGAMGAASI
SCHEMBL729956 0.77 KDM4E (0.56) CYP11B2CYP11B1MGAMGAASI
Hydrochloric Acid SCHEMBL5551165 0.77 MKNK1 (0.42) CYP11B2CYP11B1NR3C1PGR
Hydrochloric Acid SCHEMBL3379409 0.76 KDM4E (0.55) CYP11B2CYP11B1MGAMGAASI
SCHEMBL1880811 0.75 NR3C1 (0.55) CYP11B2CYP11B1MGAMGAASI
SCHEMBL19780904 0.75 NPC1 (0.61) CYP11B2CYP11B1MGAMGAASI
SCHEMBL29399064 0.75 NR3C1 (0.55) CYP11B2CYP11B1MGAMGAASI

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-7855222-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2010-12-21 — — US claimed
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