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Sugi Predict / Compounds / SCHEMBL22916804

SCHEMBL22916804

SCHEMBL22916804

CC1(C)c2cc(-c3ccc(C#N)cc3)ccc2-c2ccc3c4c(ccc1c24)-c1c-3c(-c2ccc(-c3ccc(-c4c5c(c(-c6ccc(-c7ccc(-c8c9c(c(-c%10ccccc%10)c%10ccccc8%10)-c8ccc%10c%11c(ccc-9c8%11)C(C)(C)c8ccc9ccccc9c8-%10)cc7)cc6)c6ccccc46)-c4ccc6c7c(ccc-5c47)C(C)(C)c4cc(-c5ccccc5)ccc4-6)cc3)cc2)c2ccccc2c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ PGR P06401 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ MYC P01106 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ ALDH1A3 P47895 1/20 0.30
▸ PIM1 P11309 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
SCHEMBL25129017 0.93 PDK2 (0.39) PDK2SLC22A12PGRALDH1A1ATM
SCHEMBL22597479 0.93 PDK2 (0.42) PDK2PGRALDH1A1ATMGABRA1
SCHEMBL3222953 0.82 PDK2 (0.44) PDK2PGRALDH1A1ATMGABRA1
SCHEMBL21239499 0.81 PDK2 (0.38) PDK2SLC22A12PGRALDH1A1ATM
SCHEMBL22916733 0.80 PDK2 (0.40) PDK2PGRALDH1A1ATMGABRA1
SCHEMBL15763509 0.79 PGR (0.47) PDK2PGRALDH1A1ATMGABRA1
SCHEMBL2126353 0.79 GPR84 (0.37) PDK2PGRALDH1A1CA1CA2
SCHEMBL20407111 0.77 PDK2 (0.40) PDK2SLC22A12PGRALDH1A1ATM
SCHEMBL21159685 0.77 PGR (0.39) PDK2SLC22A12PGRALDH1A1CA1
SCHEMBL20404974 0.77 PDK2 (0.39) PDK2SLC22A12PGRALDH1A1CA1

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-20210028365-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE IDEMITSU KOSAN CO.,LTD. (JP) 2021-01-28 — — US disclosed