SCHEMBL4603128

SCHEMBL4603128

O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 7/20 0.51
LMNA P02545 4/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TNF P01375 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 4/20 0.47
POLB P06746 3/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL4602884 0.90 L3MBTL1 (0.52) BLML3MBTL1ALDH1A1LMNATDP1
SCHEMBL4604364 0.82 KDM4E (0.50) ALDH1A1TDP1HTTSMN1; SMN2KDM4E
SCHEMBL4605773 0.80 LMNA (0.52) LMNAHTTSMN1; SMN2
SCHEMBL5525074 0.76 ALDH1A1 (0.59) L3MBTL1ALDH1A1MAPTTDP1HTT
SCHEMBL3114233 0.75 SMN1; SMN2 (0.56) ALDH1A1LMNAMAPTTDP1SMN1; SMN2
SCHEMBL25397720 0.75 MAPT (0.48) BLML3MBTL1ALDH1A1LMNAMAPT
SCHEMBL31681808 0.75 MAPT (0.48) BLML3MBTL1ALDH1A1LMNAMAPT
SCHEMBL571956 0.75 ALDH1A1 (0.62) L3MBTL1ALDH1A1MAPTTDP1HTT
SCHEMBL29710198 0.73 ALDH1A1 (0.59) ALDH1A1LMNAMAPTTDP1HTT
SCHEMBL6609562 0.73 ALDH1A1 (0.59) ALDH1A1LMNAMAPTTDP1HTT

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
EP-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed