SCHEMBL5446753

SCHEMBL5446753

Cc1ccc(NC(=S)NC(=N)N)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
HTT P42858 1/20 0.55
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.47
KIF11 P52732 1/20 0.46

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
Thiourea SCHEMBL28158541 0.84 KIF11 (0.44) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL4395392 0.81 MAPT (0.61) GAANPSR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL5463340 0.81 IDO1 (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL650677 0.81 KIF11 (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL3421577 0.81 ALDH1A1 (0.63) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL4391461 0.81 HPGD (0.62) KMT2AMEN1CYP1A2CYP2C19HTT
SCHEMBL166139 0.80 KIF11 (0.55) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL1278440 0.80 ALDH1A1 (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL1276739 0.80 KMT2A (0.79) KMT2AMEN1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL11844402 0.79 KIF11 (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2C19

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed