SCHEMBL28074723

SCHEMBL28074723

CCc1nc2c(Cc3ccccc3)cccc2n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
RAB9A P51151 1/20 0.49
TLR7 Q9NYK1 4/20 0.48
TP53 P04637 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
KCNH2 Q12809 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RECQL P46063 1/20 0.45

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
SCHEMBL28076729 0.83 TNF (0.59) LMNAMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL28076959 0.82 TNF (0.57) LMNAMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL6361819 0.76 RAB9A (0.78) LMNAMEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL23709675 0.76 CYP1A2 (0.53) LMNAMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL26921325 0.75 BRD4 (0.46) CYP2C19CYP1A2RAB9ATLR7RECQL
SCHEMBL20742050 0.73 TLR7 (0.49) LMNAMEN1KMT2ATLR7PPARG
SCHEMBL7036591 0.71 TLR7 (0.47) RAB9ATLR7
SCHEMBL16512712 0.71 TLR8 (0.74) LMNASMN1; SMN2TP53HTT
SCHEMBL29065791 0.70 MAPT (0.55) LMNAMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL21555500 0.70 LTB4R (0.51) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9

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
CN-105732670-A Auto-entangled microporous fluorescent material and preparation method thereof 洛阳师范学院 2016-07-06 CN disclosed