SCHEMBL17680280

SCHEMBL17680280

CCc1cc2ccc(C(=O)OC)cc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
APOBEC3A P31941 2/20 0.45
APOBEC3G Q9HC16 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL19538868 0.80 CA12 (0.46) KDM4EALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL31072830 0.80 CA12 (0.46) KDM4EALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL20604864 0.79 CA12 (0.45) KDM4EALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL31471666 0.79 CA12 (0.45) KDM4EALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL19231292 0.77 KDM4E (0.48) KDM4EALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL7425637 0.77 MAPT (0.48) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL19531681 0.77 KDM4E (0.48) KDM4EALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL12992243 0.77 TDP1 (0.46) KDM4EALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL5881804 0.76 LMNA (0.49) KDM4EHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7474444 0.75 KDM4E (0.42) MTNR1AMTNR1BKDM4EALDH1A1HPGD

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
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed