SCHEMBL27751607

SCHEMBL27751607

O=Cc1cc(-c2ccc(Cl)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
CNR1 P21554 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ERN1 O75460 2/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX5 P09917 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KMO O15229 2/20 0.38
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL7609085 0.86 ERN1 (0.38) ERN1PSEN1PSEN2APH1BNCSTN
SCHEMBL7609087 0.82 ERN1 (0.50) MAP4K4ERN1MAPT
SCHEMBL28778071 0.82 MAP4K4 (0.49) MAP4K4ALOX5NFE2L2KMO
SCHEMBL27863825 0.81 ERN1 (0.39) ERN1PSEN1PSEN2APH1BNCSTN
SCHEMBL30479916 0.81 FDPS (0.44) ERN1PSEN1PSEN2APH1BNCSTN
SCHEMBL25244672 0.81 FDPS (0.44) ERN1PSEN1PSEN2APH1BNCSTN
SCHEMBL2084619 0.81 EGFR (0.45) MAP4K4CNR1ERN1ALDH1A1KMT2A
SCHEMBL29935212 0.81 EGFR (0.45) MAP4K4CNR1ERN1ALDH1A1KMT2A
SCHEMBL613748 0.78
SCHEMBL29940193 0.78

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506149-A Prolyl hydroxylase inhibitors and methods of use PROCTER & GAMBLE (US) 2009-08-12 CN claimed
CN-111051503-A Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2020-04-21 CN disclosed
CN-101506149-B Prolyl hydroxylase inhibitors and methods of use PROCTER & GAMBLE 2012-11-14 CN disclosed
CN-101506149-A Prolyl hydroxylase inhibitors and methods of use PROCTER & GAMBLE (US) 2009-08-12 CN disclosed