SCHEMBL27477697

SCHEMBL27477697

CCc1ccc2cc(-c3ccccc3)cc(CC(N)=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ICMT O60725 6/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ACLY P53396 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
STAT1 P42224 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
BCL2 P10415 1/20 0.40
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL6246686 0.80 HTR1A (0.47) MTNR1AMTNR1BCYP1A2CYP2A6
SCHEMBL6244286 0.78 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL6244266 0.74 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL6249183 0.73 NQO2 (0.53) MTNR1AMTNR1B
SCHEMBL16371446 0.70 CA2 (0.44) KDM4ELMNAPOLBMAPK1
SCHEMBL8575054 0.69 TDP1 (0.60) MTNR1AMTNR1BKDM4EHPGDMAPT
SCHEMBL3168115 0.68 CYP1A2 (0.67) BCL2TP53CYP1A2CYP2A6
SCHEMBL27299050 0.68 KDM4E (0.48) KDM4EPOLBNPC1ACACACYP1A2
SCHEMBL1395755 0.68 LMNA (0.69) KDM4ELMNARAB9ANPC1HPGD
SCHEMBL15963655 0.67 CA2 (0.41) MAPTTP53

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
CN-1155562-C Novel naphthalene compounds, process for their preparation and pharmaceutical compositions containing them ɪά��ʵ���� 2004-06-30 CN disclosed