SCHEMBL1899412

SCHEMBL1899412

CC(=O)c1cccc(C(C)=O)c1CN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HMGB1 P09429 1/20 0.40
KLKB1 P03952 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.36
PARP1 P09874 2/20 0.36
KMT2A Q03164 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
BRPF1 P55201 1/20 0.35

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
SCHEMBL17059404 0.92 HMGB1 (0.47) KDM4EALDH1A1HMGB1HPGDTSHR
SCHEMBL22620281 0.88 BRPF1 (0.42) SMN1; SMN2KDM4ELMNAALDH1A1HPGD
SCHEMBL8582286 0.81 LMNA (0.42) SMN1; SMN2KDM4ELMNAALDH1A1THRB
SCHEMBL17059407 0.80 HMGB1 (0.41) SMN1; SMN2KDM4ELMNAALDH1A1HMGB1
SCHEMBL27669069 0.79 HMGB1 (0.55) SMN1; SMN2KDM4EALDH1A1HMGB1HPGD
SCHEMBL17059422 0.77 HMGB1 (0.53) SMN1; SMN2KDM4EALDH1A1HMGB1HPGD
SCHEMBL17059414 0.77 TAAR1 (0.41) SMN1; SMN2KDM4EALDH1A1HMGB1HPGD
SCHEMBL10499032 0.76 GABRA1 (0.48) SMN1; SMN2KDM4ELMNAALDH1A1THRB
SCHEMBL2904188 0.76 KDM4E (0.43) SMN1; SMN2KDM4ELMNAALDH1A1HMGB1
SCHEMBL28482372 0.76 CA5A (0.43) SMN1; SMN2LMNAKMT2ATSHRCYP3A4

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-2325167-A1 METHOD FOR PRODUCING CARBAMATE COMPOUND Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed