SCHEMBL8334145

SCHEMBL8334145

Cc1[nH]c2ccccc2c1SCC(=O)O.O=C(O)CCSCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
POLB P06746 1/20 0.62
PKM P14618 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 4/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8334150 0.85 MAPT (0.58) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL9073439 0.85 MAPT (1.00) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL17179367 0.78 MAPT (1.00) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL44801 0.75 CYP2C19 (1.00) MAPTSMN1; SMN2KMT2ACYP2C19ALDH1A1
SCHEMBL10849799 0.71 MAPT (0.66) MAPTSMN1; SMN2KMT2APOLBPKM
SCHEMBL9156307 0.69 ALDH1A1 (0.68) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL17179275 0.68 MAPT (0.78) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL21420146 0.68 MAPT (0.78) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL8707975 0.68 HPGD (0.51) SMN1; SMN2KMT2AMEN1NPSR1CYP2C19
SCHEMBL7716565 0.68 CYP2C19 (0.70) MAPTSMN1; SMN2KMT2AMEN1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783318-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-10-20 EP disclosed
EP-0783318-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed
WO-1996009836-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed