SCHEMBL27858828

SCHEMBL27858828

O=C(O)c1cc2ccc(CCC(F)(F)F)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.50
▸ EIF4A3 P38919 2/20 0.48
▸ HSD17B10 Q99714 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 4/20 0.47
▸ SRD5A2 P31213 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ DAO P14920 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ SMAD3 P84022 1/20 0.42
▸ RHEB Q15382 1/20 0.41
▸ F7 P08709 1/20 0.41

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
SCHEMBL8985815 0.79 TBXAS1 (0.57) TBXAS1EIF4A3HSD17B10KDM4EHPGD
SCHEMBL1144575 0.77 DAO (0.58) TBXAS1EIF4A3HSD17B10KDM4EHPGD
SCHEMBL27583744 0.77 TBXAS1 (0.50) TBXAS1EIF4A3HSD17B10KDM4EHPGD
SCHEMBL7881816 0.77 PLA2G4A (0.58) TBXAS1EIF4A3HSD17B10KDM4EHPGD
SCHEMBL20494370 0.75 HSD17B10 (0.60) TBXAS1EIF4A3HSD17B10KDM4EHPGD
SCHEMBL3643672 0.74 HPGD (0.54) EIF4A3HSD17B10KDM4EHPGDSRD5A2
SCHEMBL28793315 0.72 KDM4E (0.59) TBXAS1HSD17B10KDM4EHPGDSRD5A2
SCHEMBL1144377 0.72 KDM4E (0.74) EIF4A3HSD17B10KDM4EHPGDSRD5A2
SCHEMBL29500509 0.72 KDM4E (0.74) EIF4A3HSD17B10KDM4EHPGDSRD5A2
SCHEMBL3031466 0.71 KDM4E (0.55) TBXAS1EIF4A3HSD17B10KDM4EHPGD

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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