SCHEMBL6883040

SCHEMBL6883040

Cc1ccc(C(=O)Nc2cc(F)cc(N3CCCC3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.67
MAPT P10636 7/20 0.67
KMT2A Q03164 7/20 0.67
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
MEN1 O00255 4/20 0.67
MCL1 Q07820 3/20 0.67
KDM4E B2RXH2 2/20 0.67
LMNA P02545 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
TP53 P04637 3/20 0.59
MAPK1 P28482 3/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 4/20 0.55
USP2 O75604 2/20 0.55
PKM P14618 1/20 0.54
LDLR P01130 1/20 0.53
PCSK9 Q8NBP7 1/20 0.53
CYP2C9 P11712 1/20 0.52

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
SCHEMBL2967236 0.84 NPC1 (0.50) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL12764365 0.79 SMN1; SMN2 (0.58) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL12764388 0.78 SMN1; SMN2 (0.57) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL12552711 0.77 TDP1 (0.62) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL6400541 0.76 PLAU (0.59) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL18470910 0.74 RAB9A (1.00) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL3142490 0.74 RAB9A (1.00) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL6483771 0.74 MAPK14 (0.54) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL1947842 0.73 NPC1 (0.80) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL14503774 0.73 MAPT (0.58) RAB9AMAPTKMT2ANPC1SMN1; SMN2

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-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US disclosed