SCHEMBL16166595

SCHEMBL16166595

O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.64
▸ RXFP1 Q9HBX9 5/20 0.64
▸ P2RX1 P51575 4/20 0.61
▸ TMPRSS4 Q9NRS4 1/20 0.61
▸ GRIK1 P39086 1/20 0.60
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TRPV1 Q8NER1 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ MPO P05164 1/20 0.57
▸ KIF11 P52732 1/20 0.55
▸ PTGS1 P23219 1/20 0.53

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 0.87 P2RX1 (0.61) MAOBRXFP1P2RX1TMPRSS4MEN1
SCHEMBL18146433 0.86 RORC (0.70) MAOBRXFP1P2RX1TMPRSS4GRIK1
SCHEMBL5079427 0.82 MAPT (0.71) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8710692 0.82 RXFP1 (0.81) MAOBRXFP1GRIK1MEN1KMT2A
SCHEMBL17103384 0.81 RXFP1 (0.81) RXFP1P2RX1MEN1KMT2AMAPT
SCHEMBL5665824 0.80 RXFP1 (0.88) RXFP1P2RX1MEN1KMT2AOPRK1
SCHEMBL28330872 0.79 RXFP1 (0.69) MAOBRXFP1P2RX1GRIK1MEN1
SCHEMBL17103663 0.79 MEN1 (0.75) RXFP1GRIK1MEN1KMT2AMAPT
SCHEMBL16166867 0.78 P2RX1 (0.51) P2RX1TMPRSS4MEN1KMT2AMAPT
SCHEMBL6841093 0.78 MEN1 (0.71) P2RX1MEN1KMT2AMAPTLMNA

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