SCHEMBL4947573

SCHEMBL4947573

CN1CCN(Cc2cc(N)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.54
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
MC4R P32245 1/20 0.45
NR1H2 P55055 1/20 0.43
KCNH2 Q12809 1/20 0.43
CHKA P35790 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.42
NCF1 P14598 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL546248 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL29777509 0.86 LMNA (0.53) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL545449 0.86 LMNA (0.53) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL22712682 0.85 LMNA (0.67) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL4248747 0.84 LMNA (0.48) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL3185946 0.83 MAPT (0.46) ALDH1A1MAPTNCF1
SCHEMBL18775237 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL18783072 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL21416852 0.80 LMNA (0.42) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL16217385 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTLMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed