SCHEMBL3258642

SCHEMBL3258642

CCCCCOc1ccc(NC(=O)N(S)C(=O)c2cc(-c3csc(C)n3)on2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 4/20 0.41
CNR2 P34972 8/20 0.40
FAAH O00519 2/20 0.36
NPC1 O15118 1/20 0.36
SMPD1 P17405 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 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
SCHEMBL2868695 0.83 RAB9A (0.42) ALDH1A1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL3257336 0.75 LMNA (0.44) ALDH1A1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL205645 0.74 CFTR (0.59) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL4361562 0.71 MAPT (0.55) ALDH1A1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL2863704 0.71 MAPT (0.54) ALDH1A1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL2873151 0.71 MAPT (0.54) ALDH1A1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL3252126 0.71 OXTR (0.43) ALDH1A1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL2865576 0.70 S1PR4 (0.44) ALDH1A1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL2871229 0.69 SMPD1 (0.53) ALDH1A1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL3258918 0.69 S1PR1 (0.50) RAB9ASMN1; SMN2CNR2NPC1

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-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP claimed