SCHEMBL27398288

SCHEMBL27398288

CC(C)c1ccc(C(=O)N2CCN(C(=O)C3CCN(C)CC3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ DRD3 P35462 1/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL24370438 0.88 TDP1 (0.48) PLA2G1BATG4BTDP1LMNAKMT2A
SCHEMBL12186155 0.80 KMT2A (0.54) PLA2G1BATG4BTDP1LMNAKMT2A
SCHEMBL10329767 0.80 SMN1; SMN2 (0.58) PLA2G1BATG4BTDP1LMNAKMT2A
SCHEMBL26772953 0.79 HRH3 (0.53) PLA2G1BATG4BTDP1LMNAKMT2A
SCHEMBL19226699 0.79 KMT2A (0.61) TSHRMGLLLMNAKMT2ASMN1; SMN2
SCHEMBL19473337 0.77 SMN1; SMN2 (0.65) TSHRTDP1LMNAKMT2ASMN1; SMN2
SCHEMBL20803928 0.77 SCN9A (0.48) PLA2G1BATG4BTDP1LMNAKMT2A
SCHEMBL13466364 0.75 PLA2G1B (0.45) PLA2G1BATG4BTDP1LMNAKMT2A
SCHEMBL23750583 0.73 MKNK1 (0.52) KMT2AMEN1
SCHEMBL13466373 0.72 PLA2G1B (0.47) PLA2G1BATG4BTDP1LMNASMN1; SMN2

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-2024097775-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2024-05-10 — — WO disclosed
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