SCHEMBL20686294

SCHEMBL20686294

COc1cc(-c2cc(Cl)ccc2C(C)C)c(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
USP2 O75604 1/20 0.35
PABPC1 P11940 1/20 0.35
TGFBR1 P36897 2/20 0.34
RECQL P46063 1/20 0.34
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
STAT3 P40763 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 2/20 0.32
JAK2 O60674 1/20 0.32
HTR2C P28335 1/20 0.32
AMY1A P0DUB6 1/20 0.32

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
SCHEMBL20686264 0.85 MEN1 (0.36) MEN1KMT2AUSP2PABPC1TGFBR1
SCHEMBL20686222 0.80 TGFBR1 (0.36) MEN1KMT2AUSP2PABPC1TGFBR1
SCHEMBL17633224 0.77 SRC (0.42) MAPT
SCHEMBL17051052 0.76 TRPV1 (0.41) MEN1KMT2ANPSR1MAPTALOX15
SCHEMBL16114660 0.74 RECQL (0.37) MEN1KMT2AUSP2PABPC1RECQL
SCHEMBL17629783 0.73 F11 (0.38) MEN1KMT2AUSP2PABPC1RECQL
SCHEMBL31449583 0.73 OXTR (0.41) MEN1KMT2AL3MBTL1TSHRNPC1
SCHEMBL20686251 0.70 LMNA (0.38) MEN1KMT2AP2RX3P2RX2NPC1
SCHEMBL21737273 0.70 P2RX3 (0.40) MEN1KMT2APABPC1P2RX3P2RX2
SCHEMBL16115593 0.69 F11 (0.40) MAPTKCNH2

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-3197872-B1 (2H)-2-OXOPYRIDINES AS FAKTOR XIA-INHIBITORS FOR TREATING THROMBOTIC DISEASES Bayer Pharma AG (DE) 2019-01-30 EP disclosed