SCHEMBL21396497

SCHEMBL21396497

CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
CASP1 P29466 1/20 0.42
BRCA1 P38398 1/20 0.42
CASP7 P55210 1/20 0.42
HBB P68871 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
HTR2A P28223 1/20 0.38

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
SCHEMBL3907415 0.86 MEN1 (0.44) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL21396807 0.82 CYP3A4 (0.45) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL21168242 0.82 CYP3A4 (0.42) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL11520111 0.78 MEN1 (0.48) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL4070707 0.76 NPC1 (0.45) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL3896114 0.76 MEN1 (0.43) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL82135 0.75 MEN1 (0.52) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL11289610 0.74 MEN1 (0.46) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8778047 0.74 NPSR1 (0.46) CYP3A4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL27979822 0.74 MEN1 (0.42) CYP3A4MEN1KMT2ACYP1A2CYP2D6

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
WO-2019182315-A1 COLORED CURABLE RESIN COMPOSITION, COLOR FILTER, AND DISPLAY DEVICE 동우 화인켐 주식회사 2019-09-26 WO disclosed