SCHEMBL27120639

SCHEMBL27120639

COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N(C)C3CC3)nn1-c1cc(Cl)cc(Cl)c1)CC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.36
▸ IKBKB O14920 10/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ CCNA2 P20248 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ CCNA1 P78396 4/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL27122311 0.97 CYP11B2 (0.39) CYP11B2IKBKBRAD52CCNA2CDK2
SCHEMBL27120392 0.92 IKBKB (0.35) CYP11B2IKBKBCCNA2CDK2CCNA1
SCHEMBL27122300 0.92 L3MBTL1 (0.36) CYP11B2IKBKBRAD52
SCHEMBL27122870 0.92 RAD52 (0.36) CYP11B2IKBKBRAD52CCNA2CDK2
SCHEMBL27119776 0.89 PDE7A (0.36) CYP11B2IKBKBRAD52CCNA2CDK2
SCHEMBL30759625 0.89 PDE7A (0.36) CYP11B2IKBKBRAD52CCNA2CDK2
SCHEMBL27120632 0.89 RAD52 (0.39) CYP11B2IKBKBRAD52CCNA2CDK2
SCHEMBL27122174 0.89 RAD52 (0.36) CYP11B2IKBKBRAD52CCNA2CDK2
SCHEMBL27122153 0.89 RAD52 (0.40) CYP11B2IKBKBRAD52CCNA2CDK2
SCHEMBL27122215 0.88 IKBKB (0.34) IKBKBRAD52CCNA2CDK2CCNA1

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
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
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