SCHEMBL18307286

SCHEMBL18307286

NC(=O)c1cc(CNC(=O)C(F)(F)I)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTGES O14684 5/20 0.42
▸ AURKA O14965 4/20 0.42
▸ RPS6KB1 P23443 4/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ TSHR P16473 2/20 0.41
▸ CNR2 P34972 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CD38 P28907 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15540481 0.89 LMNA (0.44) LMNAHPGDPTGESAURKARPS6KB1
SCHEMBL18307324 0.88 MRGPRX4 (0.46) LMNAHPGDPTGESTSHRCNR2
SCHEMBL10046412 0.83 PTGES (0.58) PTGESTSHRCA1CA2
SCHEMBL20149736 0.79 TSHR (0.50) LMNAHPGDAURKARPS6KB1TSHR
SCHEMBL30491693 0.76 MRGPRX4 (0.48) LMNAHPGDPTGESTSHRCNR2
SCHEMBL1672182 0.76 MRGPRX4 (0.48) LMNAHPGDPTGESTSHRCNR2
SCHEMBL21524574 0.76 AURKA (0.40) LMNAHPGDAURKARPS6KB1AURKB
SCHEMBL16671517 0.75 TSHR (0.47) LMNAHPGDPTGESTSHRCNR2
SCHEMBL18810192 0.74 PTGES (0.44) LMNAHPGDPTGESTSHRCNR2
SCHEMBL15268110 0.74 NR1H4 (0.50) LMNAHPGDPTGESTSHRCNR2

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
WO-2016199104-A1 POLYMORPHS OF A PGES-1 INHIBITING TRIAZOLONE COMPOUND GLENMARK PHARMACEUTICALS S.A. (CH) 2016-12-15 — — WO disclosed
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