SCHEMBL25656256

SCHEMBL25656256

CCC(=N)c1ncccc1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
HTR1A P08908 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MYC P01106 1/20 0.33

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
Hydrochloric Acid SCHEMBL29177044 0.80 KDM4E (0.42) KDM4EMAPTCYP1A2GABRA1GABRB2
SCHEMBL6115313 0.79 KDM4E (0.52) KDM4EMAPTCYP1A2GABRA1GABRB2
SCHEMBL353589 0.77 KDM4E (0.70) KDM4EMAPTCYP1A2GABRA1GABRB2
Benzene SCHEMBL11818131 0.77 KDM4E (0.70) KDM4EMAPTCYP1A2GABRA1GABRB2
SCHEMBL6109973 0.77 KDM4E (0.50) KDM4EMAPTCYP1A2GABRA1GABRB2
SCHEMBL2516051 0.76 KDM4E (0.49) KDM4EMAPTCYP1A2GABRA1GABRB2
SCHEMBL17746083 0.76 KDM4E (0.49) KDM4EMAPTCYP1A2GABRA1GABRB2
SCHEMBL14155142 0.76 KDM4E (0.44) KDM4EMAPTCYP1A2GABRA1GABRB2
Hydrochloric Acid SCHEMBL17746085 0.76 KDM4E (0.68) KDM4EMAPTCYP1A2L3MBTL1ALDH1A1
Acetic Acid SCHEMBL16667162 0.74 KDM4E (0.66) KDM4EMAPTCYP1A2L3MBTL1ALDH1A1

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
EP-3561892-B1 ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO LTD (KR) 2023-05-10 EP disclosed