SCHEMBL9056282

SCHEMBL9056282

COc1ccc(-c2cc(C(=O)O)nn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 5/20 0.90
MARS1 P56192 1/20 0.74
SMN1; SMN2 Q16637 2/20 0.68
MDM2 Q00987 7/20 0.67
MCL1 Q07820 6/20 0.67
BCL2 P10415 5/20 0.67
MALT1 Q9UDY8 1/20 0.66
PPP1CA P62136 1/20 0.64
CHRNA7 P36544 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL3139245 0.94 RPA1 (1.00) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL7463244 0.91 RPA1 (0.76) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL9210332 0.90 RPA1 (0.74) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL14504732 0.90 RPA1 (0.74) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL32690380 0.90 RPA1 (0.74) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL27333015 0.89 RPA1 (0.72) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL14504738 0.89 RPA1 (0.72) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL27554183 0.89 CHRNA7 (0.78) RPA1MARS1SMN1; SMN2CHRNA7
SCHEMBL14574216 0.88 RPA1 (0.71) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL2911521 0.88 RPA1 (0.70) RPA1MARS1SMN1; SMN2MDM2MCL1

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-1996014302-A1 PYRAZOLE DERIVATIVES EXHIBITING ANTI-INFLAMMATORY AND ANALGESIC EFFECTS EISAI CO., LTD. (JP) 1996-05-17 WO disclosed