SCHEMBL8294442

SCHEMBL8294442

CC(=O)NCSC(CNC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1)CC(=O)O.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 3/20 0.45
▸ CACNA1H O95180 3/20 0.45
▸ MALT1 Q9UDY8 7/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MDM2 Q00987 3/20 0.40
▸ MCL1 Q07820 3/20 0.40
▸ BCL2 P10415 2/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ PPP1CA P62136 1/20 0.38
▸ RPA1 P27694 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ MARS1 P56192 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37

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
SCHEMBL8294446 1.00 CACNA1G (0.45) CACNA1GCACNA1HMALT1MEN1KMT2A
SCHEMBL8294444 0.92 CACNA1G (0.43) CACNA1GCACNA1HMALT1MEN1KMT2A
SCHEMBL8296252 0.78 CACNA1G (0.46) CACNA1GCACNA1HMALT1MEN1KMT2A
SCHEMBL8296254 0.78 CACNA1G (0.46) CACNA1GCACNA1HMALT1MEN1KMT2A
SCHEMBL8591058 0.70 RPA1 (0.73) MEN1KMT2AMDM2MCL1BCL2
SCHEMBL8591003 0.69 CACNA1G (0.55) CACNA1GCACNA1HMALT1MEN1KMT2A
SCHEMBL8591001 0.69 CACNA1G (0.55) CACNA1GCACNA1HMALT1MEN1KMT2A
SCHEMBL8590028 0.69 PPP1CA (0.59) CACNA1GCACNA1HMALT1MEN1KMT2A
SCHEMBL8297233 0.68 MDM2 (0.46) CACNA1GCACNA1HMALT1MEN1KMT2A
SCHEMBL8301692 0.66 CACNA1G (0.49) CACNA1GCACNA1HMALT1MEN1KMT2A

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-0477049-B1 Amido-3-pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 1999-12-01 — — EP claimed
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