SCHEMBL28076729

SCHEMBL28076729

Cc1nc2c(Cc3ccccc3)cccc2n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.59
HTR6 P50406 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GALR3 O60755 3/20 0.49
NR2F2 P24468 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
DCTPP1 Q9H773 2/20 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
SCHEMBL28076959 0.99 TNF (0.57) TNFHTR6MEN1KMT2ASMN1; SMN2
SCHEMBL28074723 0.83 LMNA (0.51) TNFHTR6MEN1KMT2ASMN1; SMN2
SCHEMBL7975722 0.81 TNF (0.60) TNFHTR6MEN1KMT2AGALR3
SCHEMBL1701199 0.81 TNF (0.60) TNFHTR6GALR3NR2F2RAB9A
SCHEMBL7965582 0.76 TNF (0.55) TNFHTR6MEN1KMT2AGALR3
SCHEMBL23709675 0.75 CYP1A2 (0.53) MEN1KMT2ASMN1; SMN2NPSR1CYP1A2
SCHEMBL231295 0.74 TNF (1.00) TNFMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL10443033 0.73 TNF (0.51) TNFHTR6SMN1; SMN2GALR3NR2F2
SCHEMBL26921289 0.72 TNF (0.50) TNFHTR6KMT2ACYP1A2CYP2C19
SCHEMBL29829358 0.72 ALDH1A1 (0.63) TNFSMN1; SMN2NPSR1RAB9ATP53

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
CN-105968128-A Meso-spiral containing fluorescent material and preparation method thereof 洛阳师范学院 2016-09-28 CN disclosed
CN-105732671-A Spiral-containing cadmium metal organic framework fluorescent material and preparation method thereof 洛阳师范学院 2016-07-06 CN disclosed