SCHEMBL7939224

SCHEMBL7939224

CCCCCCN(C)c1ccc(SNC(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
CNR1 P21554 1/20 0.38
THRB P10828 2/20 0.38
EPHX1 P07099 4/20 0.36
CCKBR P32239 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
RORC P51449 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
SCHEMBL6811159 0.81 ALDH1A1 (0.47) EPHX2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6811165 0.78 RORC (0.40) EPHX2CNR1MEN1MAPTKMT2A
SCHEMBL6819479 0.70 ALDH1A1 (0.49) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3426614 0.69 THRB (0.34) THRB
SCHEMBL7947441 0.69 SMN1; SMN2 (0.47) THRBMEN1MAPTKMT2AHTT
SCHEMBL6819482 0.68 APEX1 (0.39) MEN1KMT2AHTTSMN1; SMN2GAA
SCHEMBL10662736 0.67 EPHX2 (0.50) EPHX2EPHX1MAPTHTT
SCHEMBL6815938 0.67 ALDH1A1 (0.51) EPHX1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6814588 0.67 ALDH1A1 (0.51) EPHX1MEN1MAPTKMT2AHTT
SCHEMBL7661021 0.67 POLB (0.50) THRBMEN1MAPTKMT2ASMN1; SMN2

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed