SCHEMBL10467906

SCHEMBL10467906

COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PEPD P12955 1/20 0.45
XPNPEP1 Q9NQW7 1/20 0.45
PIK3CD O00329 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CTSK P43235 1/20 0.43
PREP P48147 1/20 0.43
ANPEP P15144 2/20 0.42
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40

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
SCHEMBL10467904 1.00 MMP2 (0.53) MMP2KMT2AMEN1TSHRRECQL
SCHEMBL27745576 0.84 KMT2A (0.60) MMP2KMT2AMEN1TSHRRECQL
SCHEMBL6196385 0.84 KMT2A (0.60) MMP2KMT2AMEN1TSHRRECQL
SCHEMBL13326445 0.84 KMT2A (0.60) MMP2KMT2AMEN1TSHRRECQL
SCHEMBL10390327 0.84 KMT2A (0.60) MMP2KMT2AMEN1TSHRRECQL
SCHEMBL8132886 0.84 KMT2A (0.60) MMP2KMT2AMEN1TSHRRECQL
SCHEMBL6196388 0.84 KMT2A (0.60) MMP2KMT2AMEN1TSHRRECQL
SCHEMBL2059306 0.84 KMT2A (0.60) MMP2KMT2AMEN1TSHRRECQL
SCHEMBL10468154 0.84 PIK3CD (0.46) TSHRRECQLSMN1; SMN2PIK3CDCTSK
SCHEMBL10468155 0.84 PIK3CD (0.46) TSHRRECQLSMN1; SMN2PIK3CDCTSK

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
US-4912231-A Reacting a proline derivative with an aromatic nucleophile in presence of a Lewis acid catalyst E. R. SQUIBB & SONS, INC. (US) 1990-03-27 US disclosed