SCHEMBL9054359

SCHEMBL9054359

COc1ccc(C(=O)C=O)cc1F.O=[Se]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
HTT P42858 2/20 0.63
MAPK1 P28482 1/20 0.63
RAB9A P51151 1/20 0.63
TUBB1 Q9H4B7 4/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
MAPT P10636 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ACHE P22303 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
ERN1 O75460 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL6620113 0.97 HTT (0.67) LMNAHTTMAPK1RAB9ATUBB1
SCHEMBL8887041 0.89 HTT (0.58) LMNAHTTMAPK1RAB9AMAPT
SCHEMBL20007006 0.82 HTT (0.65) LMNAHTTMAPK1RAB9ATUBB1
SCHEMBL4281872 0.81 CYP1A2 (0.66) LMNAMAPK1MAPTABCG2ALDH1A1
SCHEMBL3606868 0.80 MAPT (0.76) LMNAHTTMAPK1RAB9ATUBB1
SCHEMBL3606864 0.80 MAPT (0.76) LMNAHTTMAPK1RAB9ATUBB1
Water SCHEMBL29060509 0.80 CYP1A2 (0.63) LMNAMAPK1MAPTABCG2ALDH1A1
Water SCHEMBL30477093 0.80 CYP1A2 (0.63) LMNAMAPK1MAPTABCG2ALDH1A1
SCHEMBL726699 0.79 LMNA (0.66) LMNAHTTMAPK1RAB9ATUBB1
SCHEMBL9806815 0.79 LMNA (0.61) LMNAHTTMAPK1RAB9ATUBB1

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-1996007658-A1 PYRAZOLO[3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-03-14 WO disclosed