SCHEMBL31564699

SCHEMBL31564699

Fc1cccc(F)c1Cn1nc(I)c2c(Cl)nccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.38
BUB1 O43683 1/20 0.37
KMT2A Q03164 2/20 0.35
SLC22A12 Q96S37 1/20 0.34
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL31564694 1.00 RORC (0.38) RORCBUB1KMT2ASLC22A12MEN1
SCHEMBL31564685 0.84 KMT2A (0.45) RORCBUB1KMT2ASLC22A12MEN1
SCHEMBL31564564 0.82 SLC22A12 (0.39) RORCBUB1KMT2ASLC22A12MEN1
SCHEMBL16611151 0.81 CNR1 (0.40) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL25757051 0.76 RXFP1 (0.33)
SCHEMBL30498069 0.73 ADORA2A (0.35) ALDH1A1LMNA
SCHEMBL25756716 0.73 ADORA2A (0.35) ALDH1A1LMNA
SCHEMBL9370888 0.73 GRM2 (0.45) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL31272944 0.73 CNR1 (0.45) BUB1KMT2AMEN1ALDH1A1LMNA
SCHEMBL883677 0.73 CNR1 (0.45) BUB1KMT2AMEN1ALDH1A1LMNA

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
WO-2025096453-A1 COMPOUNDS FOR THE TREATMENT OF KIDNEY DISEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-08 WO disclosed