SCHEMBL7902111

SCHEMBL7902111

OCC(CO)Nc1ccc(Br)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.56
TSHR P16473 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL7893005 0.82 FDPS (0.53) FDPSTSHRMEN1KMT2AMAPT
SCHEMBL7900357 0.82 FDPS (0.53) FDPSTSHRMEN1KMT2AMAPT
SCHEMBL3941703 0.78 FYN (0.44) FDPSEGFRHCAR3HCAR2
SCHEMBL6421065 0.77 IDO1 (0.48) FDPSTSHRRAB9ANPC1PKM
SCHEMBL1283203 0.75 NPC1 (0.39) FDPSMEN1KMT2AMAPTHPGD
SCHEMBL17198309 0.75 FDPS (0.56) FDPSTSHRMEN1KMT2AMAPT
SCHEMBL1181647 0.75 FDPS (0.56) FDPSTSHRMEN1KMT2AMAPT
SCHEMBL7904170 0.74 EGFR (0.49) FDPSTSHRMEN1KMT2AMAPT
SCHEMBL16627292 0.74 MEN1 (0.43) MEN1KMT2AHCAR3HCAR2
SCHEMBL7900361 0.74 EGFR (0.49) FDPSTSHRMEN1KMT2AMAPT

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed