SCHEMBL27858580

SCHEMBL27858580

O=C1CC(O)=CN1Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.41
▸ P2RX7 Q99572 3/20 0.40
▸ TRAP1 Q12931 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ FAAH O00519 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL27858578 0.84 MBOAT4 (0.38) TRAP1MEN1KMT2AMAPTTHRB
SCHEMBL27841108 0.82 ALDH1A1 (0.49) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL27841073 0.82 MEN1 (0.45) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL27841122 0.82 KDM4E (0.44) TRAP1L3MBTL1ALDH1A1KDM4E
SCHEMBL27841077 0.80 PTGDR2 (0.43) ATMS1PR5
SCHEMBL27841067 0.77 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL27858820 0.77 KDM4E (0.49) MEN1KMT2AALDH1A1ATMKDM4E
SCHEMBL27841074 0.76 ESR2 (0.43) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL27858676 0.74 COMT (0.46) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL8140213 0.70 P2RX7 (0.48) DAOP2RX7TRAP1MRGPRX4ALDH1A1

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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