SCHEMBL4006199

SCHEMBL4006199

CC(C)(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)(C)c1ccc2nc(C(=O)O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.43
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ CNR2 P34972 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SCN10A Q9Y5Y9 3/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ NFKB1 P19838 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 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
SCHEMBL263895 0.83 MGAM (0.51) MGAMKMT2AMEN1MAPTKDM4E
SCHEMBL264755 0.80 ATM (0.35) KMT2AMEN1MAPTSCN10ANFKB1
SCHEMBL1285055 0.73 MGAM (0.50) MGAMKMT2AMEN1MAPTCNR2
SCHEMBL12458277 0.73 MGAM (0.53) MGAMKMT2AMEN1MAPTCNR2
SCHEMBL15828574 0.71 ALDH1A1 (0.34) KMT2AMEN1MAPTSCN10ANFKB1
SCHEMBL269263 0.70 MEN1 (0.44) MGAMKMT2AMEN1MAPTTRPV1
SCHEMBL1285735 0.69 BACE1 (0.56) MGAMCNR2KDM4ESCN10ASCN9A
SCHEMBL283861 0.68 MEN1 (0.42) KMT2AMEN1SCN10ASCN9A
SCHEMBL25497861 0.67 MEN1 (0.47) KMT2AMEN1MAPTTRPV1SCN10A
SCHEMBL3726302 0.67 PTPN1 (0.45) MGAMKMT2AMEN1MAPTKDM4E

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-2069302-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer Inc. (US) 2009-06-17 — — EP disclosed
WO-2008032204-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-03-20 — — WO disclosed
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