SCHEMBL29649166

SCHEMBL29649166

CCCOC(=O)c1ccc(N)cc1N.Nc1ccc(C(=O)O)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
ALDH1A1 P00352 11/20 0.50
HSD17B10 Q99714 5/20 0.49
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
MAOA P21397 1/20 0.48
HTR2C P28335 1/20 0.48
CHRNA4 P43681 1/20 0.48
HTR3A P46098 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 4/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.45
CYP3A4 P08684 3/20 0.44
TSHR P16473 3/20 0.44

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
SCHEMBL2133553 0.94 ALDH1A1 (0.56) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL29664646 0.94 ALDH1A1 (0.56) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL29649164 0.88 ALDH1A1 (0.57) CYP1A2ALDH1A1HSD17B10CHRM2CHRM3
SCHEMBL11109738 0.85 ALDH1A1 (0.68) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL29994981 0.83 ALDH1A1 (0.46) CYP1A2CYP2D6SCN1ASCN2ASCN3A
SCHEMBL6362319 0.82 ALDH1A1 (0.69) CYP1A2ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL13124103 0.82 ALDH1A1 (0.69) CYP1A2ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL6362627 0.82 ALDH1A1 (0.69) CYP1A2ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL12774710 0.82 ALDH1A1 (0.69) CYP1A2ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL30438401 0.82 ALDH1A1 (0.44) CYP1A2CYP2D6SCN1ASCN2ASCN3A

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
CN-107043630-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2022-08-02 CN disclosed
CN-108690195-B Composition for flexible substrate and flexible substrate 奇美实业股份有限公司 2022-07-05 CN disclosed