SCHEMBL7973738

SCHEMBL7973738

CCCC(O)c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LONP1 P36776 3/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
VNN1 O95497 2/20 0.32
BTD P43251 1/20 0.32
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL1579715 0.84 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1LONP1CYP2D6
SCHEMBL27257535 0.80 KDM4E (0.37) KDM4ESMN1; SMN2ALDH1A1LONP1CYP2D6
SCHEMBL19003627 0.80 POLB (0.35) KDM4ESMN1; SMN2ALDH1A1LONP1CYP2D6
SCHEMBL18595067 0.78 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2ALDH1A1LONP1CYP2D6
SCHEMBL5706462 0.78 KDM4E (0.34) KDM4ESMN1; SMN2ALDH1A1CYP19A1
SCHEMBL10714528 0.78 KDM4E (0.39) KDM4ESMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL25225144 0.78 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL10701796 0.77 KDM4E (0.31) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL18881769 0.77 ATM (0.34) KDM4ESMN1; SMN2ALDH1A1LONP1CYP2D6
SCHEMBL5159765 0.77 CYP2D6 (0.33) KDM4ESMN1; SMN2ALDH1A1LONP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101830661-B Additive for warm-mixing rubber-asphalt mixture and mixing method of mixture RES INST HIGHWAY MINI TRANSP 2012-08-29 CN disclosed
CN-101830661-A Additive for warm-mixing rubber-asphalt mixture and mixing method of mixture RES INST HIGHWAY MINI TRANSP 2010-09-15 CN disclosed
US-6288066-B1 ANTIDIABETIC AGENTS; OXIDATION, HYDROLYSIS AVENTIS PHARMA S.A. (FR) 2001-09-11 US disclosed