SCHEMBL27123909

SCHEMBL27123909

CCOC(=O)c1nn(-c2cccnn2)c2c1CCc1cc(OC)c(Br)cc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ CCNA1 P78396 3/20 0.42
▸ KCNK3 O14649 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR4 Q13639 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL27123712 0.89 ALDH1A1 (0.44) CCNA2CDK2CCNA1KCNK3ALDH1A1
SCHEMBL30759563 0.89 ALDH1A1 (0.44) CCNA2CDK2CCNA1KCNK3ALDH1A1
SCHEMBL12046673 0.82 CCNA2 (0.47) CCNA2CDK2CCNA1KCNK3ALDH1A1
SCHEMBL12046658 0.81 PDE4B (0.45) CCNA2CDK2CCNA1KCNK3ALDH1A1
SCHEMBL27122940 0.81 CCNA2 (0.47) CCNA2CDK2CCNA1KCNK3ALDH1A1
SCHEMBL30759580 0.81 CCNA2 (0.47) CCNA2CDK2CCNA1KCNK3ALDH1A1
SCHEMBL27119351 0.81 CCNA2 (0.47) CCNA2CDK2CCNA1KCNK3ALDH1A1
SCHEMBL30759600 0.81 CCNA2 (0.47) CCNA2CDK2CCNA1KCNK3ALDH1A1
SCHEMBL30759660 0.80 CCNA2 (0.47) CCNA2CDK2CCNA1KCNK3ALDH1A1
SCHEMBL27122715 0.80 CCNA2 (0.47) CCNA2CDK2CCNA1KCNK3ALDH1A1

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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