SCHEMBL11210909

SCHEMBL11210909

Cc1nc(C)n(CCN2CCCC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
POLB P06746 1/20 0.34
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
RAB9A P51151 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 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
SCHEMBL26251037 0.73 CYP3A4 (0.37) KDM4EALDH1A1TSHRCYP3A4MAPT
SCHEMBL10535765 0.72 GAA (0.38) KDM4EALDH1A1TP53L3MBTL1LMNA
SCHEMBL10667972 0.71 KMT2A (0.42) KDM4EALDH1A1LMNATSHRMAPK1
SCHEMBL7806764 0.69 TSHR (0.40) KDM4EALDH1A1L3MBTL1TSHRCYP3A4
SCHEMBL3757039 0.68 LMNA (0.74) KDM4EALDH1A1TP53L3MBTL1LMNA
Hydrochloric Acid SCHEMBL28338922 0.68 TSHR (0.39) KDM4EALDH1A1L3MBTL1TSHRCYP3A4
SCHEMBL14416115 0.68 PIM1 (0.50) ALDH1A1TSHR
Iodide SCHEMBL28301029 0.68 TSHR (0.39) KDM4EALDH1A1L3MBTL1LMNATSHR
SCHEMBL11216107 0.68 ALOX15 (0.35) KDM4EALDH1A1TSHRCYP3A4MAPT
SCHEMBL9692394 0.68 KDM4E (0.46) KDM4ELMNACYP3A4GAAMAPK1

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
US-4339448-A Imidazole-copper complex compounds and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1982-07-13 US claimed
US-4339448-A Imidazole-copper complex compounds and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1982-07-13 US disclosed