SCHEMBL10377398

SCHEMBL10377398

Cc1c(F)c(Cl)c(F)c2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 7/20 0.40
▸ TOP2B Q02880 7/20 0.40
▸ GSK3B P49841 5/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNH2 Q12809 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CACNA1D Q01668 1/20 0.37
▸ CACNA1S Q13698 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL10376042 0.91 MEN1 (0.39) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL9047018 0.90 TOP2A (0.42) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL10377463 0.88 TOP2A (0.40) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL9047079 0.83 MEN1 (0.39) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL9585430 0.82 GSK3B (0.57) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL6216986 0.82 MEN1 (0.46) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL7498379 0.81 KCNH2 (0.46) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL9050194 0.81 MEN1 (0.44) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL8131012 0.81 TOP2A (0.37) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL9416480 0.81 TOP2A (0.43) TOP2ATOP2BGSK3BMEN1KMT2A

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
EP-0391132-A1 5-Alkylquinolinone carboxylic acids BAYER AG (DE) 1990-10-10 — — EP claimed
EP-0391132-A1 5-Alkylquinolinone carboxylic acids BAYER AG (DE) 1990-10-10 — — EP disclosed
Send feedback