SCHEMBL16166867

SCHEMBL16166867

O=C(Nc1ccc(C(F)(F)F)nc1)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.51
▸ TMPRSS4 Q9NRS4 1/20 0.51
▸ PPARG P37231 3/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ CYP2C8 P10632 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ MAPT P10636 8/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RORC P51449 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL16166749 0.83 P2RX1 (0.61) P2RX1TMPRSS4PPARGPPARAMAPT
SCHEMBL18146485 0.82 MAPT (0.56) P2RX1TMPRSS4PPARGPPARANR1I2
SCHEMBL16166595 0.78 MAOB (0.64) P2RX1TMPRSS4MAPTKMT2AMEN1
SCHEMBL5079427 0.76 MAPT (0.71) PPARGPPARAMAPTKMT2AMEN1
SCHEMBL3559340 0.73 MAPT (0.50) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL31665956 0.73 MAPT (0.50) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL1251751 0.73 LMNA (0.48) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL18147725 0.72 P2RX1 (0.56) P2RX1TMPRSS4PPARGPPARAMAPT
SCHEMBL7760831 0.72 NPC1 (0.64) PPARGPPARANR1I2CYP2C8PPARD
SCHEMBL7762511 0.72 NPC1 (0.64) PPARGPPARANR1I2CYP2C8PPARD

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
WO-2014167444-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-10-16 — — WO disclosed
WO-2014167444-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-10-16 — — WO disclosed
Send feedback