SCHEMBL6685643

SCHEMBL6685643

NC(=S)C(Cc1ccccc1)(Cc1ccccc1)C(N)=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FDPS P14324 1/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL7079424 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL28345994 0.78 SLC6A2 (0.54) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL2107223 0.77 SMN1; SMN2 (0.57) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL3072598 0.77 IDO1 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL338742 0.71 SMN1; SMN2 (0.61) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL20913002 0.71 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
Diphenylmethane SCHEMBL6925115 0.70 CALM1 (0.67) SMN1; SMN2GAAALDH1A1ALOX12LMNA
SCHEMBL21268824 0.70 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL21269769 0.70 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL21269594 0.70 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2

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
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed