SCHEMBL30116807

SCHEMBL30116807

CCOC(=O)N1C2C=CC(CC2)C1c1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.43
PDE1C Q14123 1/20 0.39
DGAT1 O75907 1/20 0.38
TERT O14746 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNA7 P36544 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL25861916 1.00 RAB9A (0.44) RAB9AKMT2APDE1CDGAT1TERT
SCHEMBL25861926 0.84 USP2 (0.38) RAB9ADGAT1ALDH1A1KDM4EHPGD
SCHEMBL8486011 0.82 RAB9A (0.44) RAB9AKMT2APDE1CDGAT1CHRNB2
SCHEMBL30116744 0.81 TSHR (0.46) KMT2APKMALDH1A1KDM4EHPGD
SCHEMBL8071268 0.81 TSHR (0.46) KMT2APKMALDH1A1KDM4EHPGD
SCHEMBL24154692 0.76 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA7
SCHEMBL7052178 0.70 GAA (0.42) POLBALDH1A1HTT
SCHEMBL19627195 0.70 ATM (0.35) KMT2AALDH1A1
SCHEMBL30382517 0.68 LDHA (0.40) CHRNB2CHRNA4CHRNA7ALDH1A1KDM4E
SCHEMBL15799144 0.67 KMT2A (0.50) RAB9AKMT2ADGAT1CHRNB2CHRNA4

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-115698002-A Compositions and methods for parasite control 菲利普莫里斯生产公司 2023-02-03 CN disclosed