SCHEMBL27858820

SCHEMBL27858820

O=C1CC(O)=CN1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ ATM Q13315 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ACP3 P15309 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KCNN4 O15554 3/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL27841122 0.83 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2CA12CA9
SCHEMBL27858668 0.82 ALDH1A1 (0.45) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL27858835 0.79 CYP2C9 (0.51) KDM4EALDH1A1GAALMNAKMT2A
SCHEMBL27858592 0.78 ALDH1A1 (0.46) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL27858578 0.77 MBOAT4 (0.38) KMT2AMAPTMEN1MAPK10
SCHEMBL27858580 0.77 DAO (0.41) KDM4EALDH1A1LMNAATMKMT2A
SCHEMBL27841077 0.76 PTGDR2 (0.43) ATMKCNH2
SCHEMBL27858676 0.75 COMT (0.46) KDM4EALDH1A1GAAATMKMT2A
SCHEMBL11099626 0.74 SMN1; SMN2 (0.58) KDM4EALDH1A1GAALMNAATM
SCHEMBL27858552 0.73 KMT2A (0.45) GAAKMT2A

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
CN-102264740-B Pyrrolo [ 1, 2 -b] pyridazine derivatives and their use as hif modulators FIBROGEN, INC. (US) 2014-10-15 — — CN disclosed
CN-102264740-A Pyrrolo [ 1, 2 -b] pyridazine derivatives and their use as hif modulators — 2011-11-30 — — CN disclosed
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