SCHEMBL31061469

SCHEMBL31061469

O=C(CC1CCCCC1)Nc1nnc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ ALPL P05186 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ EPHX2 P34913 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.45
▸ CA2 P00918 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL15975475 0.75 EPHX1 (0.51) KMT2AMEN1EPHX2NPC1RAB9A
SCHEMBL1950761 0.71 EPHX2 (0.72) KMT2AMEN1ALPLPOLBEPHX2
SCHEMBL13934556 0.71 KMT2A (0.55) KMT2AMEN1ALPLPOLBEPHX2
SCHEMBL1948889 0.69 NPC1 (0.69) KMT2AMEN1ALPLPOLBEPHX2
SCHEMBL5639509 0.68 EPHX2 (0.71) KMT2AMEN1ALPLPOLBEPHX2
SCHEMBL3822162 0.67 EPHX2 (1.00) KMT2AEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL5647839 0.66 EPHX2 (0.73) KMT2AMEN1EPHX2NPC1RAB9A
SCHEMBL11520494 0.66 RAB9A (0.97) KMT2AMEN1EPHX2NPC1RAB9A
SCHEMBL4866294 0.65 EPHX2 (0.97) KMT2AMEN1EPHX2NPC1RAB9A
SCHEMBL22862326 0.65 EPHX2 (0.54) KMT2AMEN1ALPLPOLBEPHX2

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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