SCHEMBL11269102

SCHEMBL11269102

CC(=O)NC(=O)CSc1nc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.72
MPO P05164 3/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
HPGD P15428 1/20 0.64
MAPT P10636 2/20 0.62
ALDH1A1 P00352 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
APEX1 P27695 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GAA P10253 1/20 0.62
LMNA P02545 1/20 0.61
PRMT5 O14744 1/20 0.61
WDR77 Q9BQA1 1/20 0.61

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
SCHEMBL11116603 0.86 KMT2A (0.69) POLBMPOKMT2ASMN1; SMN2HPGD
SCHEMBL8797365 0.84 KMT2A (0.75) POLBMPOKMT2ASMN1; SMN2HPGD
SCHEMBL9379490 0.83 KMT2A (0.69) POLBMPOKMT2AMAPTALDH1A1
SCHEMBL8425964 0.82 SMN1; SMN2 (0.79) POLBMPOKMT2ASMN1; SMN2HPGD
SCHEMBL17624909 0.82 MAPT (0.83) POLBMPOKMT2AMAPTALDH1A1
SCHEMBL12485740 0.81 MPO (0.81) POLBMPOKMT2ASMN1; SMN2MAPT
SCHEMBL14304382 0.81 KMT2A (0.79) POLBMPOKMT2ASMN1; SMN2HPGD
SCHEMBL8251328 0.80 KMT2A (0.77) POLBMPOKMT2ASMN1; SMN2HPGD
SCHEMBL3515244 0.80 KMT2A (1.00) POLBKMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL29770390 0.80 KMT2A (1.00) POLBKMT2ASMN1; SMN2HPGDALDH1A1

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-4329363-A Substituted mercapto acid amides and their use MERCK & CO., INC. (US) 1982-05-11 US disclosed
US-4216160-A IMMUNOREGULANTS FOR CORRECTING AN INBALANCE OF IMMUNE HOMEOSTASIS MERCK & CO., INC. (US) 1980-08-05 US disclosed