SCHEMBL29201438

SCHEMBL29201438

Cc1c(-c2ccccc2)ccc(F)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.53
PTGS1 P23219 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PTGS2 P35354 2/20 0.44
TSHR P16473 2/20 0.44
FABP2 P12104 1/20 0.44
AKR1C4 P17516 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL14784099 0.85 PTGER2 (0.47) KAT6AAKR1C3AKR1C2DHODHDHFR
SCHEMBL13823882 0.83 HTT (0.54) KAT6APTGS1MEN1KMT2ATSHR
SCHEMBL20773094 0.81 CDK1 (0.44) KAT6APTGS1MEN1KMT2APTGS2
SCHEMBL5720759 0.81 ESR2 (0.44) KAT6APTGS1MEN1KMT2ATSHR
SCHEMBL20232815 0.80 KAT6A (0.61) KAT6AMEN1KMT2APTGS2MAPT
SCHEMBL4671318 0.79 PDE4A (0.44) KAT6APTGS1MEN1KMT2ATSHR
SCHEMBL6302351 0.78 FABP3 (0.44) MEN1KMT2AFABP3FABP4PDE10A
SCHEMBL30673290 0.78 FABP3 (0.44) MEN1KMT2AFABP3FABP4PDE10A
SCHEMBL16394743 0.78 ALDH1A1 (0.42) KAT6ATSHRAKR1C3AKR1C2HPGD
SCHEMBL8915221 0.78 FOLH1 (0.44) PTGS1MEN1KMT2APTGS2TSHR

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-117729921-A Compounds and methods as PD1/PD-L1 inhibitors 朱比兰特普罗德尔有限公司 2024-03-19 CN disclosed