SCHEMBL29897652

SCHEMBL29897652

O=C(c1ccc(Br)cc1F)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 2/20 0.56
RAB9A P51151 2/20 0.53
SLC6A5 Q9Y345 1/20 0.53
CNR1 P21554 3/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.50
DGAT1 O75907 1/20 0.50
ERN1 O75460 1/20 0.50
NPC1 O15118 1/20 0.49
CPS1 P31327 1/20 0.49

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
SCHEMBL968813 1.00 MAPT (0.57) MAPTTSHREPHX2RAB9ASLC6A5
SCHEMBL1447151 0.94 MAPT (0.52) MAPTTSHREPHX2RAB9ASLC6A5
SCHEMBL16379735 0.88 MAPT (0.57) MAPTTSHREPHX2RAB9ASLC6A5
SCHEMBL5255412 0.86 RAB9A (0.61) MAPTTSHRRAB9ASLC6A5KMT2A
SCHEMBL30791513 0.86 CCKBR (0.56) MAPTTSHRRAB9ACNR1KMT2A
SCHEMBL1424241 0.86 CCKBR (0.56) MAPTTSHRRAB9ACNR1KMT2A
SCHEMBL643698 0.86 CPS1 (0.60) MAPTRAB9AKMT2ADGAT1NPC1
SCHEMBL969401 0.84 CCKBR (0.58) MAPTTSHRRAB9ACNR1KMT2A
SCHEMBL17678114 0.83 MGLL (0.58) TSHRRAB9AKMT2ANPC1
SCHEMBL17749695 0.83 HSP90AA1 (0.57) MAPTTSHRRAB9AKMT2AGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003671-B JNK inhibitors, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2024-08-06 CN disclosed
CN-115003671-A JNK inhibitors, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2022-09-02 CN disclosed