SCHEMBL8920748

SCHEMBL8920748

COC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CSCCCc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
IDO1 P14902 1/20 0.41
NOD2 Q9HC29 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
CNR1 P21554 1/20 0.40
FPR2 P25090 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL8922387 0.91 MAPT (0.50) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL8923079 0.90 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8921264 0.84 CYP4F2 (0.47) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8921852 0.84 POLB (0.44) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL8919875 0.84 ALDH1A1 (0.40) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8921973 0.82 KMT2A (0.39) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7462894 0.81 KDM4E (0.64) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL8923389 0.80 ALDH1A1 (0.43) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL8924828 0.80 SMN1; SMN2 (0.43) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL8921372 0.78 RAB9A (0.46) KMT2AMEN1L3MBTL1MAPTALDH1A1

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed