SCHEMBL28655727

SCHEMBL28655727

CON(C)C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.45
MAPT P10636 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
POLB P06746 1/20 0.42
P2RX1 P51575 3/20 0.42
GPR35 Q9HC97 1/20 0.41
NOTUM Q6P988 1/20 0.40
ACP1 P24666 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.39
TP53 P04637 1/20 0.39
KIF11 P52732 1/20 0.39
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC13A3 Q8WWT9 1/20 0.38
TACR1 P25103 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.38
TRPA1 O75762 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
SCHEMBL29905046 0.85 RXFP1 (0.42) MLYCDMAPTP2RX1GPR35NOTUM
SCHEMBL3652937 0.84 MLYCD (0.55) MLYCDNOTUMTACR1
SCHEMBL1169485 0.81 MLYCD (0.39) MLYCDMAPTPOLBLMNA
SCHEMBL29981147 0.79 MEN1 (0.44) MLYCDMAPTACP1LMNA
SCHEMBL23412501 0.79 MEN1 (0.44) MLYCDMAPTACP1LMNA
SCHEMBL12187536 0.79 MLYCD (0.50) MLYCDNOTUMTACR1
SCHEMBL12563345 0.79 MLYCD (0.50) MLYCDNOTUMTACR1
SCHEMBL1662271 0.79 MLYCD (0.50) MLYCDNOTUMTACR1
SCHEMBL31048071 0.79 MLYCD (0.50) MLYCDNOTUMTACR1
SCHEMBL13715456 0.79 MLYCD (0.50) MLYCDNOTUMTACR1

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-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 CN disclosed