SCHEMBL21357773

SCHEMBL21357773

CCOC(=O)c1nc2n(c1Br)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
KDM4E B2RXH2 3/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL21315297 0.96 POLB (0.53) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL23645338 0.83 MAPT (0.53) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL21357550 0.80 MAPT (0.50) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL21357703 0.80 MAPT (0.50) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL21362977 0.78 MAPT (0.48) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL23214479 0.78 ALDH1A1 (0.45) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL28470543 0.77 MAPK1 (0.40) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL1421010 0.75 REN (0.48) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL18357419 0.75 POLB (0.58) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL3738019 0.75 POLB (0.62) MAPTALDH1A1RAB9ANPC1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765466-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2021-01-20 EP disclosed
WO-2019175046-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-19 WO disclosed