SCHEMBL11085580

SCHEMBL11085580

O=C(c1cccc(Cl)c1)C(Br)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.52
▸ KCNH2 Q12809 2/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ VNN1 O95497 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ CHRNA1 P02708 1/20 0.43
▸ CHRNG P07510 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ CHRNB1 P11230 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43

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
SCHEMBL11083245 0.85 MDM2 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL634167 0.81 SLC6A2 (0.49) KCNH2MEN1KMT2AERCC5FEN1
SCHEMBL4741238 0.79 PARP1 (0.50) KCNH2MEN1KMT2AERCC5FEN1
SCHEMBL28631032 0.79 PARP1 (0.50) KCNH2MEN1KMT2AERCC5FEN1
SCHEMBL634150 0.78 ALDH1A1 (0.51) KCNH2ERCC5FEN1MAPTSLC6A2
SCHEMBL633919 0.77 SLC6A2 (0.51) KCNH2MEN1KMT2AERCC5FEN1
SCHEMBL634447 0.77 ALDH1A1 (0.50) KCNH2SLC6A2CHRNA1CHRNGITGA5
SCHEMBL12495745 0.77 KCNJ5 (0.45) KCNH2MEN1KMT2AERCC5FEN1
SCHEMBL17492409 0.77 PARP1 (0.45) KCNH2ERCC5FEN1SLC6A2CHRNA1
SCHEMBL634064 0.76 ALDH1A1 (0.49) KCNH2SLC6A2CHRNA1CHRNGITGA5

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-4431648-A ANTIDEPRESSANTSD SYNTHELABO (FR) 1984-02-14 — — US disclosed
Send feedback