SCHEMBL19687559

SCHEMBL19687559

CN(C)c1ncccc1OCCOCCOCCOCCI

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
MAPT P10636 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
LMNA P02545 7/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 8/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NCF1 P14598 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL19687558 0.86 KDM4E (0.40) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL19631332 0.85 KDM4E (0.41) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL17784960 0.79 LMNA (0.37) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL28015202 0.75 GRM5 (0.46) KDM4EMAPTLMNAHTTNPSR1
SCHEMBL22736821 0.74 PRMT5 (0.35) KDM4EMAPTLMNAHTTNPSR1
SCHEMBL21500781 0.74 ALDH1A1 (0.36) KDM4EMAPTMAPK1LMNAHTT
SCHEMBL21500727 0.72 PRMT5 (0.34) KDM4EMAPTCYP3A4MAPK1LMNA
SCHEMBL24310536 0.71 PRMT5 (0.33) KDM4EMAPTLMNAHTTKMT2A
SCHEMBL22084511 0.71 SMN1; SMN2 (0.49) KDM4EMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL16741069 0.70 CTSS (0.41) KDM4EMAPTCYP3A4LMNAHTT

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-2017210335-A1 IMAGING METHODS USING 18F-RADIOLABELED BIOLOGICS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-07 WO disclosed