SCHEMBL4848261

SCHEMBL4848261

NC(=O)C1CCCN1C(I)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ELANE P08246 2/20 0.41
DPP4 P27487 3/20 0.40
AR P10275 1/20 0.40
POLB P06746 1/20 0.39
SPHK1 Q9NYA1 2/20 0.39
ACE P12821 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37

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
SCHEMBL4771389 0.88 ALDH1A1 (0.46) KDM4EACEALDH1A1SMN1; SMN2
SCHEMBL24359262 0.85 KMT2A (0.45) KMT2AKDM4ETDP1ELANEDPP4
SCHEMBL7305362 0.85 KMT2A (0.45) KMT2AKDM4ETDP1ELANEDPP4
SCHEMBL7313734 0.82 KMT2A (0.49) KMT2AKDM4ETDP1ELANEDPP4
SCHEMBL976837 0.82 KMT2A (0.49) KMT2AKDM4ETDP1ELANEDPP4
SCHEMBL13653651 0.80 HTR1A (0.44) KMT2AKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL19894171 0.79 KMT2A (0.46) KMT2AKDM4ETDP1DPP4POLB
Cadaverine Tartrate SCHEMBL2322053 0.79 KDM4E (0.42) KMT2AKDM4ETDP1ELANEDPP4
SCHEMBL30874890 0.78 KMT2A (0.45) KMT2AKDM4ETDP1ALDH1A1
SCHEMBL30874883 0.78 KMT2A (0.45) KMT2AKDM4ETDP1ALDH1A1

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-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed