SCHEMBL8159028

SCHEMBL8159028

CC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.49
KMT2A Q03164 6/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
MITF O75030 2/20 0.42
OPRK1 P41145 1/20 0.42
KDM6B O15054 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40

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
SCHEMBL8159030 1.00 AGTR1 (0.49) AGTR1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL16077914 0.87 LMNA (0.43) AGTR1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL5589329 0.87 LMNA (0.43) AGTR1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL5589132 0.85 LMNA (0.42) AGTR1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL18489441 0.83 LMNA (0.50) KMT2ALMNAHTTHPGDALDH1A1
SCHEMBL1638050 0.81 CTSL (0.40) KMT2ALMNAHTTKDM4EKDM6B
SCHEMBL1638049 0.81 CTSL (0.40) KMT2ALMNAHTTKDM4EKDM6B
SCHEMBL242518 0.81 KDM4E (0.53) AGTR1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL8166694 0.81 KDM4E (0.53) AGTR1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL242519 0.81 KDM4E (0.53) AGTR1KMT2ALMNAHTTSMN1; SMN2

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-2000018776-A1 DIMERIC DIIMINE TRANSITION METAL COMPLEX AND CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-04-06 WO disclosed