SCHEMBL11628584

SCHEMBL11628584

CCCCOC(=O)Cn1nc(Br)c(Br)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ESR1 P03372 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL11627581 0.96 NAAA (0.44) CNR1MEN1KMT2ALMNAPOLB
SCHEMBL11625548 0.94 NAAA (0.46) CNR1MEN1KMT2ALMNAPOLB
SCHEMBL11631485 0.84 MAPK1 (0.49) MEN1KMT2APOLBTSHRALDH1A1
SCHEMBL11830102 0.75 MAPK1 (0.49) MEN1KMT2ALMNAPOLBMAPT
Butane SCHEMBL11630643 0.74 LMNA (0.43) LMNAPOLBMAPTALOX15ALDH1A1
SCHEMBL17665629 0.73 LMNA (0.55) CNR1MEN1KMT2ALMNAPOLB
SCHEMBL7461582 0.68 MAPK1 (0.51) CNR1MEN1KMT2ALMNAPOLB
SCHEMBL16607366 0.65 MEN1 (0.49) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL30839344 0.65 MEN1 (0.49) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL15693392 0.64 KMT2A (0.51) MEN1KMT2AMAPTTSHRL3MBTL1

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
US-4089672-A HERBICIDES THE UPJOHN COMPANY (US) 1978-05-16 — — US disclosed
US-4084955-A 1-CARBOXYALKYL-DI- AND TRIHALOPYRAZOLES, HERBICIDES THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
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