SCHEMBL27313630

SCHEMBL27313630

CCc1cnc(-c2cc[c]cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.37
RAB9A P51151 8/20 0.37
NPC1 O15118 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 4/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
TP53 P04637 2/20 0.34
METAP2 P50579 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HPGDS O60760 2/20 0.33

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
SCHEMBL10793104 0.82 RARB (0.54) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL803074 0.81 TP53 (0.50) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7723530 0.80 RARB (0.60) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8526877 0.79 TP53 (0.48) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL20364675 0.79 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL8713869 0.79 RARB (0.62) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL5888400 0.79 RARB (0.62) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8747808 0.79 RARB (0.62) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9272426 0.79 RARB (0.62) RARBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8631186 0.79 RARB (0.62) RARBRAB9ANPC1SMN1; SMN2KDM4E

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-1032435-A The phenyl trifluoromethyl ethers that replaces MERCK PATENT GMBH (DE) 1989-04-19 CN disclosed