SCHEMBL9846262

SCHEMBL9846262

COc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PDE7B Q9NP56 2/20 0.33
KDM4E B2RXH2 1/20 0.32
APAF1 O14727 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 2/20 0.32
PIK3CD O00329 1/20 0.32
P2RX7 Q99572 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
L-697661 SCHEMBL29456987 0.85 FABP4 (0.34) IDH1MAPTKDM4EKMT2A
L-697661 SCHEMBL599639 0.85 FABP4 (0.34) IDH1MAPTKDM4EKMT2A
SCHEMBL9283257 0.84 ADRA2A (0.32) MAPTKDM4E
SCHEMBL9680865 0.82 NPC1 (0.33) PDE3BPDE3AGAA
SCHEMBL9456135 0.82
SCHEMBL9171193 0.78 FABP4 (0.34) IDH1P2RX7
SCHEMBL9846072 0.76 TYMS (0.32) IDH1KMT2A
SCHEMBL9455992 0.76 HCAR2 (0.33) IDH1KMT2A
SCHEMBL9846309 0.75 FABP4 (0.31) KMT2A
SCHEMBL9846215 0.74 FABP4 (0.31)

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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed