SCHEMBL9519865

SCHEMBL9519865

Cc1cc(=O)n(-c2cc(C(=O)OC(C)C3CC3)c(Cl)cc2F)c(=O)n1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPOX P50336 4/20 0.35
DHODH Q02127 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
WDR5 P61964 1/20 0.31
POLB P06746 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30
BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL9468954 0.91 MAPT (0.35) PPOXSMN1; SMN2HPGDMAPTLMNA
SCHEMBL9523001 0.87 PPOX (0.33) PPOXDHODHSMN1; SMN2HPGDMAPT
SCHEMBL9586969 0.84 ALDH1A1 (0.32) SMN1; SMN2HPGDMAPTLMNACYP1A2
SCHEMBL9521255 0.84 HPGD (0.37) PPOXSMN1; SMN2HPGDMAPTKMT2A
SCHEMBL22745804 0.83 MAPT (0.36) SMN1; SMN2HPGDMAPTLMNACYP1A2
SCHEMBL9521382 0.83 MAPT (0.38) PPOXSMN1; SMN2HPGDMAPTKMT2A
SCHEMBL9522986 0.83 MAPT (0.38) PPOXSMN1; SMN2HPGDMAPTKMT2A
SCHEMBL9521057 0.82 GAA (0.38) PPOXSMN1; SMN2HPGDMAPTLMNA
SCHEMBL9567022 0.81 TSHR (0.35) SMN1; SMN2HPGDMAPTCYP1A2CYP2C9
SCHEMBL9350427 0.79 NOTUM (0.40) SMN1; SMN2HPGDMAPTCYP1A2CYP2C9

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-0323487-B1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-31 EP claimed
US-4941909-A HERBICIDES, PYRIMIDONE BENZOATES HOFFMANN-LA ROCHE INC. (US) 1990-07-17 US disclosed