SCHEMBL7216097

SCHEMBL7216097

CCOC(=O)Cn1c(C)cc([C@@H]2CNC[C@@H]2c2ccccc2)cc1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL7216103 1.00 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ERAB9AMAPTPKM
SCHEMBL7216109 1.00 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ERAB9AMAPTPKM
SCHEMBL7219520 0.83 TSHR (0.46) SMN1; SMN2KDM4ERAB9AALDH1A1MEN1
SCHEMBL7219524 0.83 TSHR (0.46) SMN1; SMN2KDM4ERAB9AALDH1A1MEN1
SCHEMBL7219522 0.83 TSHR (0.46) SMN1; SMN2KDM4ERAB9AALDH1A1MEN1
SCHEMBL7216082 0.81 KDM4E (0.43) SMN1; SMN2KDM4ERAB9AALDH1A1MEN1
SCHEMBL7216094 0.81 KDM4E (0.43) SMN1; SMN2KDM4ERAB9AALDH1A1MEN1
SCHEMBL7216088 0.81 KDM4E (0.43) SMN1; SMN2KDM4ERAB9AALDH1A1MEN1
SCHEMBL7214682 0.73 ALDH1A1 (0.56) KDM4ERAB9AMAPTALDH1A1MEN1
SCHEMBL7214686 0.73 ALDH1A1 (0.56) KDM4ERAB9AMAPTALDH1A1MEN1

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-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed