SCHEMBL29620722

SCHEMBL29620722

O=C(O)c1cc(OC2CC2)c2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HRH1 P35367 14/20 0.41
KCNH2 Q12809 14/20 0.41
KMO O15229 1/20 0.41
PDE4A P27815 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL23195592 1.00 LMNA (0.44) LMNAMETAP2METAP1HDAC6HRH1
SCHEMBL30744840 0.88 KMO (0.44) LMNAMETAP2METAP1HDAC6KCNH2
SCHEMBL30744828 0.87 PDE4D (0.44) PDE4APDE4D
SCHEMBL23195925 0.86 HTT (0.51) LMNAHRH1KCNH2PDE4DCYP3A4
SCHEMBL23905397 0.85 HPGDS (0.51) LMNAHRH1KCNH2PDE4DCYP3A4
SCHEMBL23166684 0.84 HRH1 (0.45) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL23905326 0.83 HRH1 (0.41) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL23905537 0.82 KMO (0.39) KMOPDE4APDE4D
SCHEMBL23905749 0.82 MAP4K4 (0.45) LMNAMETAP2METAP1HDAC6KMO
SCHEMBL16517662 0.80 KMT2A (0.52) LMNAMETAP2METAP1HDAC6PDE4A

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-2022086840-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed