SCHEMBL5846337

SCHEMBL5846337

O=C(Nc1ccccc1C(=O)C(O)c1ccccc1)c1sc2ccccc2c1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.62
MAPT P10636 5/20 0.60
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
RXFP1 Q9HBX9 2/20 0.58
PRSS12 P56730 5/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
OGG1 O15527 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4651922 0.84 MAPT (0.78) F10MAPTKDM4EALDH1A1RXFP1
SCHEMBL16210507 0.81 F10 (0.70) F10MAPTKDM4EALDH1A1RXFP1
SCHEMBL6590270 0.77 F10 (1.00) F10PRSS12
SCHEMBL2901773 0.76 P2RX7 (0.50) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL2248037 0.75 F10 (0.69) F10MAPTKDM4EALDH1A1RXFP1
SCHEMBL6592760 0.75 F10 (0.83) F10MAPTRXFP1PRSS12SMN1; SMN2
SCHEMBL5935569 0.75 MAPT (0.79) F10MAPTKDM4EALDH1A1RXFP1
SCHEMBL12767889 0.74 MAPT (1.00) F10MAPTKDM4EALDH1A1RXFP1
SCHEMBL2053138 0.73 LMNA (0.52) KDM4EALDH1A1MAPK1MEN1POLB
SCHEMBL16562253 0.72 F10 (0.63) F10MAPTKDM4ERXFP1PRSS12

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-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 US disclosed