SCHEMBL23399657

SCHEMBL23399657

COc1ccc(-n2nc(-c3ccc(C)cc3)c(O)c2-c2ccccc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
TP53 P04637 3/20 0.45
MAPT P10636 2/20 0.45
CDK2 P24941 2/20 0.45
CCNA2 P20248 1/20 0.45
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AURKA O14965 1/20 0.43
CCNE1 P24864 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MCHR1 Q99705 1/20 0.41
CCKAR P32238 1/20 0.41
CNR1 P21554 1/20 0.41
CFTR P13569 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL23401341 0.93 CCNA2 (0.49) PTGS1PTGS2TP53MAPTCDK2
SCHEMBL23400575 0.92 CCNA2 (0.45) PTGS2TP53MAPTCDK2CCNA2
SCHEMBL23400659 0.89 CCNA2 (0.48) PTGS2TP53MAPTCDK2CCNA2
SCHEMBL23399599 0.88 CCNA2 (0.47) PTGS1PTGS2TP53MAPTCDK2
SCHEMBL23398791 0.87 ALDH1A1 (0.48) PTGS1PTGS2TP53MAPTCDK2
SCHEMBL23398801 0.87 ALDH1A1 (0.48) PTGS1PTGS2TP53MAPTCDK2
SCHEMBL23402549 0.86 TP53 (0.49) PTGS1PTGS2TP53MAPTRAB9A
SCHEMBL23398381 0.84 RAB9A (0.44) PTGS1PTGS2TP53MAPTRAB9A
SCHEMBL23403375 0.83 NPC1 (0.47) MAPTRAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL23399120 0.82 MEN1 (0.49) PTGS1PTGS2MAPTCDK2CCNA2

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed