SCHEMBL8314534

SCHEMBL8314534

C/C(=N/O)c1c(C)nc2cccc(C)n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
PKM P14618 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 5/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
PKLR P30613 1/20 0.33
MGLL Q99685 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4772682 0.80 KMT2A (0.57) HTTKMT2AALDH1A1KDM4ECYP1A2
SCHEMBL7829888 0.77 HTT (0.53) HTTKMT2AALDH1A1KDM4ECYP1A2
SCHEMBL15670580 0.75 HTT (0.51) HTTKMT2AALDH1A1KDM4ECYP1A2
SCHEMBL8312072 0.74 KMT2A (0.67) HTTKMT2AALDH1A1KDM4ERAB9A
SCHEMBL17101127 0.72 ALDH1A1 (0.61) HTTKMT2AALDH1A1KDM4EPOLB
SCHEMBL18754397 0.71 HTT (0.58) HTTKMT2AALDH1A1KDM4ECYP1A2
SCHEMBL16506289 0.68 HTT (0.54) HTTKMT2AALDH1A1KDM4ECYP1A2
SCHEMBL22275503 0.68 HTT (0.50) HTTALDH1A1KDM4ECYP1A2POLB
SCHEMBL2420773 0.66 KDM4E (0.54) HTTKMT2AALDH1A1KDM4EPOLB
SCHEMBL21863678 0.66 HTT (0.51) HTTKMT2AALDH1A1KDM4ECYP1A2

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
EP-0649425-B1 PYRIDINO-, PYRROLIDINO- AND AZEPINO-SUBSTITUTED OXIMES USEFUL AS ANTI-ATHEROSCLEROSIS AND ANTI-HYPERCHOLESTEROLEMIC AGENTS UPJOHN CO (US) 1999-03-10 EP claimed