SCHEMBL11099262

SCHEMBL11099262

O=C(Cc1ccc(Cl)cc1Cl)c1cncnc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.51
GALR3 O60755 1/20 0.50
NR2F2 P24468 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.45
RECQL P46063 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ERCC1 P07992 2/20 0.42
ERCC4 Q92889 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NLRP1 Q9C000 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL838069 0.84 ALDH1A1 (0.53) P2RX7GALR3NR2F2L3MBTL1KMT2A
SCHEMBL836320 0.83 L3MBTL1 (0.62) P2RX7GALR3NR2F2L3MBTL1KMT2A
SCHEMBL2847244 0.82 MAPT (0.55) L3MBTL1EPHX2RECQLLMNAMAPK1
SCHEMBL5318479 0.79 MAPT (0.57) L3MBTL1KMT2AEPHX2LMNAMAPK1
SCHEMBL2119177 0.76 MGAM (0.47) P2RX7GALR3NR2F2KMT2AEPHX2
SCHEMBL11000136 0.76 ERCC1 (0.48) L3MBTL1KMT2AEPHX2RECQLERCC1
SCHEMBL10580138 0.76 GGPS1 (0.44) P2RX7GALR3NR2F2L3MBTL1KMT2A
SCHEMBL11096668 0.75 GALR3 (0.53) P2RX7GALR3NR2F2KMT2ATSHR
SCHEMBL20796876 0.74 GALR3 (0.55) P2RX7GALR3NR2F2L3MBTL1RECQL
SCHEMBL28940593 0.74 IDO1 (0.54) P2RX7GALR3NR2F2L3MBTL1KMT2A

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-0117485-A2 Pyridine, pyrazine and pyrimidine derivatives and their use as fungicides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-09-05 EP disclosed