SCHEMBL21100618

SCHEMBL21100618

Cc1ccc(C(=O)NCCCc2ccc(-c3ccc(C)c(I)c3)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
PTAFR P25105 6/20 0.53
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP19A1 P11511 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
NAMPT P43490 3/20 0.44
EPHX2 P34913 1/20 0.44
POLB P06746 3/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL21100312 0.84 KDM4E (0.62) KDM4EPTAFRALDH1A1CYP19A1NAMPT
SCHEMBL21045190 0.81 KDM4E (0.58) KDM4EPTAFRPSEN1PSEN2APH1B
SCHEMBL21045212 0.81 KDM4E (0.57) KDM4EPTAFRPSEN1PSEN2APH1B
SCHEMBL29411414 0.81 KDM4E (0.57) KDM4EPTAFRPSEN1PSEN2APH1B
SCHEMBL21045518 0.81 KDM4E (0.52) KDM4EALDH1A1TDP1NAMPT
SCHEMBL21045557 0.81 KDM4E (0.52) KDM4EPTAFRPSEN1PSEN2APH1B
SCHEMBL21100619 0.80 SMN1; SMN2 (0.48) PTAFRPSEN1PSEN2APH1BNCSTN
SCHEMBL21045426 0.80 KDM4E (0.51) KDM4EPTAFRPSEN1PSEN2APH1B
SCHEMBL21045238 0.80 KDM4E (0.51) KDM4EPTAFRPSEN1PSEN2APH1B
SCHEMBL29411466 0.80 KDM4E (0.51) KDM4EPTAFRPSEN1PSEN2APH1B

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
WO-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed