SCHEMBL30648554

SCHEMBL30648554

CC(C)(NC(=O)OCc1ccccc1)c1cc(Cl)nc(Cl)c1.O=C(Cl)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.44
P2RX7 Q99572 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
CTSS P25774 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KAT2B Q92831 2/20 0.41
ATM Q13315 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL16533052 0.96 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL26639888 0.93 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL16545198 0.86 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ALMNAP2RX7
SCHEMBL19940203 0.85 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL16533682 0.85 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ALMNAP2RX7
SCHEMBL16533499 0.84 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31412386 0.84 MEN1 (0.43) SMN1; SMN2MEN1KMT2ALMNAP2RX7
SCHEMBL31412426 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ALMNAP2RX7
SCHEMBL31247417 0.84 P2RX7 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31412398 0.83 MEN1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522604-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS Merck Sharp & Dohme LLC (US) 2025-03-19 EP disclosed
WO-2023220225-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 WO disclosed