SCHEMBL31504191

SCHEMBL31504191

N#Cc1ccc(N2CCN(c3ccc(NC(=O)c4ccc(OCF)cc4)cc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
PANK3 Q9H999 4/20 0.52
MAPT P10636 9/20 0.52
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 3/20 0.52
ALOX15 P16050 1/20 0.52
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
USP2 O75604 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
NR4A1 P22736 1/20 0.47

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
SCHEMBL22495414 1.00 KMT2A (0.53) KMT2AMEN1PANK3MAPTALDH1A1
SCHEMBL31504202 0.93 MAPT (0.54) KMT2AMEN1PANK3MAPTALDH1A1
SCHEMBL22495249 0.93 MAPT (0.54) KMT2AMEN1PANK3MAPTALDH1A1
SCHEMBL22495457 0.90 PANK3 (0.60) KMT2AMEN1PANK3MAPTSMN1; SMN2
SCHEMBL31504200 0.90 PANK3 (0.60) KMT2AMEN1PANK3MAPTSMN1; SMN2
SCHEMBL21771104 0.89 RAB9A (0.62) KMT2AMEN1PANK3MAPTALDH1A1
SCHEMBL31504187 0.89 PANK3 (0.48) KMT2AMEN1PANK3MAPTALDH1A1
SCHEMBL22495286 0.89 PANK3 (0.48) KMT2AMEN1PANK3MAPTALDH1A1
SCHEMBL22495274 0.89 MAPT (0.51) KMT2AMEN1PANK3MAPTALDH1A1
SCHEMBL22495294 0.89 KMT2A (0.51) KMT2AMEN1PANK3MAPTALDH1A1

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
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP claimed