SCHEMBL28833751

SCHEMBL28833751

O=C(O)c1cc2ccsc2n1CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 5/20 0.41
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ESR1 P03372 1/20 0.37
HPGD P15428 1/20 0.37
CCR9 P51686 1/20 0.37
CCR2 P41597 3/20 0.36
USP2 O75604 1/20 0.35
FDPS P14324 1/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL21295068 0.81 LMNA (0.48) L3MBTL1LMNAMAPTTSHRPOLB
SCHEMBL2330722 0.80 GPR35 (0.50) L3MBTL1LMNAMAPTTSHRKDM1A
SCHEMBL2331226 0.78 KDM1A (0.47) L3MBTL1LMNAMAPTTSHRKDM1A
SCHEMBL4109131 0.77 POLB (0.63) L3MBTL1MAPTTSHRKDM1ARCOR1
SCHEMBL21295046 0.76 L3MBTL1 (0.34) L3MBTL1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL28538325 0.75 NOTUM (0.41) L3MBTL1LMNAMAPTTSHRKDM1A
SCHEMBL21295088 0.75 L3MBTL1 (0.33) L3MBTL1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL28551725 0.74 TSHR (0.47) L3MBTL1LMNAMAPTTSHRKDM1A
SCHEMBL28833744 0.73 FEN1 (0.44) L3MBTL1LMNAMAPTTSHRKDM1A
SCHEMBL31536810 0.72 CCR2 (0.32) POLBCCR2

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-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 CN disclosed