SCHEMBL31440602

SCHEMBL31440602

Cc1ccc(OCc2ccccc2)cc1NC(=O)CN(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
EGFR P00533 3/20 0.50
LTA4H P09960 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
TP53 P04637 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL31440627 0.86 LTA4H (0.70) MEN1KMT2AEGFRLTA4HSMN1; SMN2
SCHEMBL31440573 0.82 LMNA (0.56) MEN1KMT2ALTA4HSMN1; SMN2POLB
SCHEMBL26633529 0.80 MAOB (0.48) MEN1KMT2AEGFRSMN1; SMN2NOX1
SCHEMBL19123715 0.79 PDK1 (0.52) SMN1; SMN2CTDSP1TDP1NPC1RAB9A
SCHEMBL22626751 0.78 NPC1 (0.50) MEN1KMT2ALTA4HSMN1; SMN2CTDSP1
SCHEMBL31440607 0.78 LTA4H (0.49) MEN1KMT2AEGFRLTA4HSMN1; SMN2
SCHEMBL3425509 0.77 CTDSP1 (0.53) MEN1KMT2ASMN1; SMN2POLBCTDSP1
SCHEMBL31440569 0.77 MAPT (0.60) EGFRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL26756882 0.76 ALOX5 (0.53) MEN1KMT2ASMN1; SMN2TDP1NPC1
SCHEMBL31440550 0.76 CYP3A4 (0.49) MEN1KMT2ASMN1; SMN2POLBALDH1A1

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-2025014200-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 티움바이오 2025-01-16 WO disclosed