SCHEMBL11075264

SCHEMBL11075264

CCOC(=O)c1c(CC)nc2ccccc2c1O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NMT2 O60551 1/20 0.58
NMT1 P30419 1/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 3/20 0.55
ADORA3 P0DMS8 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RECQL P46063 1/20 0.50
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 1/20 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
SCHEMBL538291 0.86 SMN1; SMN2 (0.69) KDM4EALDH1A1SMN1; SMN2NMT2NMT1
SCHEMBL29860485 0.86 SMN1; SMN2 (0.58) KDM4EALDH1A1SMN1; SMN2NMT2NMT1
SCHEMBL27659536 0.86 SMN1; SMN2 (0.58) KDM4EALDH1A1SMN1; SMN2NMT2NMT1
SCHEMBL19002791 0.84 ALDH1A1 (0.66) KDM4EALDH1A1SMN1; SMN2NMT2NMT1
SCHEMBL4992903 0.84 FABP3 (0.52) KDM4EALDH1A1SMN1; SMN2NMT2NMT1
SCHEMBL395812 0.84 SMN1; SMN2 (0.53) KDM4EALDH1A1SMN1; SMN2NMT2NMT1
SCHEMBL28126276 0.83 SMN1; SMN2 (0.55) KDM4EALDH1A1SMN1; SMN2NMT2NMT1
SCHEMBL14238204 0.83 SMN1; SMN2 (0.55) KDM4EALDH1A1SMN1; SMN2NMT2NMT1
SCHEMBL27276256 0.83 SMN1; SMN2 (0.55) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL27327783 0.83 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NMT2NMT1

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
US-4450167-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS ROUSSEL UCLAF (FR) 1984-05-22 US disclosed