SCHEMBL14878707

SCHEMBL14878707

CCN(CC)c1ccc2cc(C3Sc4ccccc4N3C)c(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.51
▸ KDM4E B2RXH2 8/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ SLC16A3 O15427 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ SLC16A1 P53985 1/20 0.49
▸ MAPT P10636 12/20 0.48
▸ MEN1 O00255 10/20 0.48
▸ KMT2A Q03164 10/20 0.48
▸ ATM Q13315 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ HBB P68871 2/20 0.48

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
SCHEMBL14852919 0.82 MAOB (0.40) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
Hydrochloric Acid SCHEMBL18725879 0.82 CYP19A1 (0.56) CYP19A1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL17144524 0.80 MAPT (0.53) CYP19A1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL17144523 0.80 MAPT (0.53) CYP19A1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL17914334 0.76 CYP19A1 (0.52) CYP19A1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL22331139 0.73 MAPT (0.53) CYP19A1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8049948 0.73 CYP19A1 (0.53) CYP19A1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL17144947 0.72 MAPT (0.44) CYP19A1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL17144943 0.72 MAPT (0.44) CYP19A1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL28648071 0.72 CYP19A1 (0.61) CYP19A1KDM4EALDH1A1SMN1; SMN2HPGD

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-2096690-B1 Organic electroluminescence device UDC IRELAND LTD (IE) 2013-04-24 — — EP disclosed
Send feedback