SCHEMBL27858835

SCHEMBL27858835

O=C1CC(O)=CN1Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ EGLN1 Q9GZT9 1/20 0.49
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ P2RX7 Q99572 1/20 0.42
▸ DRD2 P14416 1/20 0.42

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
SCHEMBL27858592 0.84 ALDH1A1 (0.46) CYP2C9CYP2C19MAPTKMT2AMEN1
SCHEMBL27858834 0.83 ERCC1 (0.45) MAPTEGLN1KMT2AMEN1SIGMAR1
SCHEMBL27858668 0.82 ALDH1A1 (0.45) CYP2C9CYP2C19KMT2AMEN1POLB
SCHEMBL27858820 0.79 KDM4E (0.49) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL27841073 0.78 MEN1 (0.45) MAPTKMT2AMEN1SIGMAR1LMNA
SCHEMBL27841067 0.76 MEN1 (0.46) CYP2C9CYP2C19MAPTKMT2AMEN1
SCHEMBL27841068 0.75 ALDH1A1 (0.46) CYP2C9CYP2C19MAPTKMT2AMEN1
SCHEMBL27841122 0.72 KDM4E (0.44) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL28555863 0.71 CYP2C9 (0.65) CYP2C9CYP2C19MAPTKMT2AMEN1
SCHEMBL4322092 0.71 CYP2C9 (0.58) CYP2C9CYP2C19MAPTEGLN1KMT2A

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-102264740-A Pyrrolo [ 1, 2 -b] pyridazine derivatives and their use as hif modulators — 2011-11-30 — — CN disclosed
Send feedback