SCHEMBL30335518

SCHEMBL30335518

Fc1cc(Br)c(Br)c(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.49
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGER1 P34995 1/20 0.43
MAPK14 Q16539 5/20 0.42
LRRK2 Q5S007 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL23883871 1.00 KDM1A (0.49) KDM1AFFAR1FFAR4RAB9ASMN1; SMN2
SCHEMBL4540283 0.87 KDM1A (0.56) KDM1AFFAR1FFAR4SMN1; SMN2MAOB
SCHEMBL23899537 0.84 KDM1A (0.50) KDM1AFFAR1FFAR4RAB9ASMN1; SMN2
SCHEMBL23884036 0.84 KDM1A (0.47) KDM1AFFAR1FFAR4RAB9ASMN1; SMN2
SCHEMBL30234836 0.84 KDM1A (0.47) KDM1AFFAR1FFAR4RAB9ASMN1; SMN2
SCHEMBL26133457 0.81 MRGPRX4 (0.48) KDM1AFFAR1FFAR4MAOBL3MBTL1
SCHEMBL2113202 0.81 PKM (0.57) FFAR1FFAR4RAB9ASMN1; SMN2MAOB
SCHEMBL30660563 0.81 FFAR1 (0.65) KDM1AFFAR1FFAR4RAB9ASMN1; SMN2
SCHEMBL2577580 0.81 FFAR1 (0.65) KDM1AFFAR1FFAR4RAB9ASMN1; SMN2
SCHEMBL8252175 0.81 THRB (0.58) KDM1ASMN1; SMN2MAOBMAPTTHRA

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-115916748-A Indole derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-04-04 CN disclosed