SCHEMBL9009906

SCHEMBL9009906

CCCSc1ccc(N)c(C)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 1/20 0.33
PIK3CA P42336 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL7750244 0.84 NPC1 (0.37) NPC1RAB9AKMT2ACYP3A4MEN1
SCHEMBL6905535 0.78 KMT2A (0.38) PTGS2KMT2ACA12CA1CA2
SCHEMBL31462333 0.74 PTGS2 (0.41) PTGS2KMT2ACYP3A4MEN1TSHR
SCHEMBL2860505 0.73 NPC1 (0.45) NPC1RAB9ACYP3A4TSHRPIK3CA
SCHEMBL3628525 0.71 MEN1 (0.54) PTGS2NPC1RAB9AKMT2ACYP3A4
SCHEMBL11409408 0.71 KMT2A (0.42) PTGS2NPC1RAB9AKMT2AMEN1
SCHEMBL8763662 0.70 TLR8 (0.42) PTGS2NPC1RAB9AKMT2AMEN1
SCHEMBL9515893 0.69 HPGD (0.39) PTGS2NPC1RAB9AKMT2AMEN1
SCHEMBL28126730 0.69 MEN1 (0.52) PTGS2NPC1RAB9AKMT2ACYP3A4
Hydrochloric Acid SCHEMBL16445779 0.69 MEN1 (0.52) PTGS2NPC1RAB9AKMT2ACYP3A4

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-5534036-A Keratinous fiber dyeing methods and compositions which contain sulfated methaphenylenediamine couplers in combination with oxidation dye precursors L'OREAL (FR) 1996-07-09 US disclosed