SCHEMBL27119953

SCHEMBL27119953

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ CCNA1 P78396 3/20 0.38
▸ CYP11B2 P19099 5/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ IKBKB O14920 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ POLQ O75417 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 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
SCHEMBL30759574 1.00 CCNA2 (0.38) CCNA2CDK2CCNA1CYP11B2CYP11B1
SCHEMBL27119775 0.89 PDE7A (0.36) CCNA2CDK2CCNA1CYP11B2CYP11B1
SCHEMBL30759597 0.89 PDE7A (0.36) CCNA2CDK2CCNA1CYP11B2CYP11B1
SCHEMBL27119960 0.86 CCNA2 (0.38) CCNA2CDK2CCNA1CYP11B2CYP11B1
SCHEMBL30759553 0.86 CCNA2 (0.38) CCNA2CDK2CCNA1CYP11B2CYP11B1
SCHEMBL30759555 0.86 UGCG (0.38) CCNA2CDK2CCNA1CYP11B2CYP11B1
SCHEMBL27120267 0.86 UGCG (0.38) CCNA2CDK2CCNA1CYP11B2CYP11B1
SCHEMBL30759686 0.84 GRM5 (0.37) CYP11B2CYP11B1RAD52BRD4CREBBP
SCHEMBL27119422 0.84 GRM5 (0.37) CYP11B2CYP11B1RAD52BRD4CREBBP
SCHEMBL27120380 0.84 CYP11B2 (0.32) CCNA2CDK2CCNA1CYP11B2CYP11B1

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