SCHEMBL9823401

SCHEMBL9823401

CC1(C)CCCC(C)(C)N1C(=O)c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.41
ALPL P05186 4/20 0.41
XIAP P98170 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL4235665 0.82 CYP3A4 (0.50) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL12156534 0.80 CNR2 (0.43) ENPP3ALPLXIAPCA12CA1
SCHEMBL9307823 0.74 TSHR (0.49) LMNAMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL4764024 0.72 HPGD (0.69) CA12CA1CA2CA7CA9
SCHEMBL14320380 0.71 GRM3 (0.58) CA12CA1CA2CA7CA9
SCHEMBL13724596 0.70 CA12 (0.49) ENPP3ALPLXIAPCA12CA1
SCHEMBL28088669 0.70 TSHR (0.45) ALDH1A1TSHR
SCHEMBL264516 0.68 HPGD (0.76) CA12CA1CA2CA7CA9
SCHEMBL10455188 0.68 MAPT (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21891706 0.68 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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
EP-0410970-A4 REACTIVE HINDERED AMINE LIGHT STABILIZERS 1991-07-31 EP disclosed
EP-0410970-A1 REACTIVE HINDERED AMINE LIGHT STABILIZERS. ATOCHEM NORTH AMERICA (US) 1991-02-06 EP disclosed