SCHEMBL13680659

SCHEMBL13680659

Cc1cccc(-c2ccc(N(C)C)nn2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
NPC1 O15118 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
USP2 O75604 1/20 0.66
TP53 P04637 1/20 0.66
PKM P14618 1/20 0.66
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.44
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KDM1A O60341 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
MEN1 O00255 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
SCHEMBL10348831 0.80 NPC1 (1.00) RAB9ANPC1SMN1; SMN2USP2TP53
SCHEMBL24359756 0.78 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10844089 0.78 NPC1 (0.54) RAB9ANPC1SMN1; SMN2USP2TP53
SCHEMBL10985177 0.75 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16826158 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL10842162 0.75 NPC1 (0.59) RAB9ANPC1SMN1; SMN2USP2TP53
SCHEMBL13680658 0.75 BCHE (0.47) RAB9ANPC1IDO1METAP2KDM1A
SCHEMBL12759431 0.73 KMO (0.39) RAB9ANPC1SMN1; SMN2USP2TP53
SCHEMBL10842327 0.72 SMN1; SMN2 (0.66) RAB9ANPC1SMN1; SMN2USP2TP53
SCHEMBL8265012 0.72 APP (0.50) RAB9ANPC1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed