SCHEMBL28781815

SCHEMBL28781815

CCC(=O)c1cccc(CCBr)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FOLH1 Q04609 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
GSK3B P49841 1/20 0.39
ATM Q13315 1/20 0.39
KAT6A Q92794 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL13819738 0.86 KAT6A (0.50) CYP4F2CYP4A11SMN1; SMN2NPC1RAB9A
SCHEMBL6911012 0.86 SMN1; SMN2 (0.43) CYP4F2CYP4A11SMN1; SMN2NPC1RAB9A
SCHEMBL19090371 0.84 SMN1; SMN2 (0.50) CYP4F2CYP4A11SMN1; SMN2NPC1RAB9A
SCHEMBL12221840 0.83 CYP4F2 (0.51) CYP4F2CYP4A11SMN1; SMN2
SCHEMBL28268128 0.83 CYP4F2 (0.45) CYP4F2CYP4A11SMN1; SMN2NPC1RAB9A
SCHEMBL597591 0.82 MAOB (0.49) CYP4F2CYP4A11TDP1MRGPRX4
SCHEMBL3033628 0.82 BCL2 (0.50) CYP4F2CYP4A11SMN1; SMN2NPC1RAB9A
SCHEMBL30407967 0.82 TDP1 (0.48) CYP4F2CYP4A11TDP1L3MBTL1FOLH1
SCHEMBL8580572 0.82 PRSS1 (0.46) CYP4F2CYP4A11SMN1; SMN2NPC1RAB9A
SCHEMBL27458626 0.81 LPL (0.53) CYP4F2CYP4A11

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-101589037-A Heteromonocyclic compounds and uses thereof TAKEDA PHARMACEUTICAL (JP) 2009-11-25 CN disclosed