SCHEMBL5667990

SCHEMBL5667990

COc1ccccc1C(c1ccc(NC(C)Cc2ccccc2)cc1C)c1ccc(NC(C)Cc2ccccc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC18A2 Q05940 1/20 0.38
FPR2 P25090 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL5009568 0.84 GAA (0.45) MEN1KMT2ACYP2D6LMNAHTT
SCHEMBL5010102 0.83 KMT2A (0.50) MEN1KMT2ACYP2D6CYP2C19HTT
SCHEMBL5011774 0.79 MEN1 (0.45) MEN1KMT2ALMNAHTTSIGMAR1
SCHEMBL5011920 0.76 ALDH1A1 (0.44) MEN1KMT2ALMNASIGMAR1TAAR1
SCHEMBL5011802 0.74 MEN1 (0.46) MEN1KMT2ALMNAHTTSIGMAR1
SCHEMBL5567608 0.70 KMT2A (0.42) MEN1KMT2ACYP2D6CYP2C19SIGMAR1
SCHEMBL29020992 0.69 SIGMAR1 (0.55) MEN1KMT2ACYP2D6HTTSIGMAR1
SCHEMBL25371161 0.69 L3MBTL1 (0.50) G6PDMEN1KMT2ASIGMAR1TAAR1
SCHEMBL903704 0.68 SIGMAR1 (0.63) MEN1KMT2ACYP2D6SIGMAR1TAAR1
SCHEMBL5667993 0.68 TSHR (0.47) MEN1KMT2ACYP2C19HTTALDH1A1

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-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed