SCHEMBL5502497

SCHEMBL5502497

CN1C(=O)C(=O)c2cccc(F)c21.CN1C(=O)Cc2cccc(F)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
CHRM1 P11229 2/20 0.40
CHRM5 P08912 2/20 0.39
CASP3 P42574 1/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
CES1 P23141 3/20 0.38
TTR P02766 1/20 0.38
CASP6 P55212 3/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
HTR1A P08908 1/20 0.36
RNASEH1 O60930 1/20 0.36
ALDH3A1 P30838 1/20 0.34

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
SCHEMBL5001522 0.87 BMPR1B (0.43) MEN1KMT2ACHRM1BMPR1BBMPR1A
SCHEMBL29785238 0.85 ALDH1A1 (0.65) MEN1KMT2AALDH1A1POLBCHRM1
SCHEMBL2816698 0.85 ALDH1A1 (0.65) MEN1KMT2AALDH1A1POLBCHRM1
SCHEMBL5506028 0.77 CHRM5 (0.48) MEN1KMT2AALDH1A1CHRM1CHRM5
SCHEMBL5509026 0.75 CES1 (0.39) MEN1KMT2AALDH1A1POLBCHRM1
SCHEMBL5505549 0.75 KMT2A (0.43) MEN1KMT2AALDH1A1BMPR1BBMPR1A
SCHEMBL8551856 0.72 SRD5A1 (0.45) MEN1KMT2ACHRM1HTR1A
SCHEMBL5001527 0.70 CHRM1 (0.39) MEN1KMT2AALDH1A1CHRM1CASP3
SCHEMBL2078451 0.69 BMPR1B (0.44) ALDH1A1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL30404908 0.69 KMT2A (0.46) MEN1KMT2AALDH1A1POLBCASP3

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-1781642-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006016221-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed