SCHEMBL4604364

SCHEMBL4604364

Nc1ccc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KRAS P01116 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL4602168 0.89 ALDH1A1 (0.53) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL4603128 0.82 BLM (0.52) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL4602793 0.78 KDM4E (0.51) KDM4EALDH1A1HTT
SCHEMBL1512564 0.77 MEN1 (0.67) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL20192506 0.75 CA12 (0.55)
SCHEMBL21650947 0.74 HSD11B1 (0.63) KDM4EALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL20192550 0.73 GPR183 (0.57)
SCHEMBL28424017 0.73 IDO1 (0.49) KDM4EALDH1A1
SCHEMBL11888875 0.73 ALDH1A1 (0.54) KDM4EALDH1A1
SCHEMBL5519966 0.72 ALDH1A1 (0.69) KDM4EALDH1A1HTTSMN1; SMN2TDP1

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