SCHEMBL7428136

SCHEMBL7428136

O=C(CN1CCC(NCC(O)C2COc3ccccc3O2)CC1)Nc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SMYD3 Q9H7B4 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 8/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7443888 0.93 POLB (0.48) POLBALDH1A1HTTKDM4ERAB9A
SCHEMBL7439415 0.92 POLB (0.49) POLBALDH1A1L3MBTL1HTTKDM4E
SCHEMBL7447128 0.92 RAB9A (0.52) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7435917 0.91 POLB (0.48) POLBALDH1A1L3MBTL1HTTRAB9A
SCHEMBL7434360 0.91 POLB (0.59) POLBKMT2AALDH1A1L3MBTL1HTT
SCHEMBL7434317 0.89 POLB (0.46) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7430181 0.89 POLB (0.48) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7446327 0.89 SMN1; SMN2 (0.52) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7439756 0.88 POLB (0.45) POLBALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL7432822 0.88 CA1 (0.49) POLBALDH1A1HTTLMNASMN1; SMN2

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed