SCHEMBL11220051

SCHEMBL11220051

CNC(C(N)=O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
PTGS1 P23219 3/20 0.56
PTGS2 P35354 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
CXCR1 P25024 2/20 0.56
CXCR2 P25025 2/20 0.56
CYP3A4 P08684 2/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
PMP22 Q01453 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CXCL8 P10145 1/20 0.56
THPO P40225 1/20 0.56
HIF1A Q16665 1/20 0.56
ATM Q13315 1/20 0.50

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
SCHEMBL11223033 0.83 CNR2 (0.43) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL10090088 0.82 LMNA (0.44) MAPTALDH1A1LMNACYP3A4KDM4E
SCHEMBL5089604 0.82 LMNA (0.44) MAPTALDH1A1LMNACYP3A4KDM4E
SCHEMBL12797154 0.82 LMNA (0.44) MAPTALDH1A1LMNACYP3A4KDM4E
SCHEMBL31318264 0.80 MAPT (0.76) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL7040464 0.80 MAPT (0.76) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL1887588 0.80 MAPT (0.76) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL1887586 0.80 MAPT (0.76) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6604933 0.79 KMT2A (0.44) LMNACYP3A4MAPK1HSD17B10THPO
SCHEMBL13710921 0.78 SYK (0.47) SMN1; SMN2LMNAHSD17B10CYP1A2CYP2D6

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
US-4313949-A Method of producing an inhibitory effect on blood platelet aggregation A. H. ROBINS COMPANY, INC. (US) 1982-02-02 US claimed
US-4313949-A Method of producing an inhibitory effect on blood platelet aggregation A. H. ROBINS COMPANY, INC. (US) 1982-02-02 US disclosed