SCHEMBL31240797

SCHEMBL31240797

O=C(CCN1CCCCC1)Nc1cccc(-c2cc3c(Cl)ccnc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ TERT O14746 7/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDR P35968 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGDS O60760 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ACHE P22303 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
SCHEMBL31240601 0.81 MAP4K4 (0.51) SMN1; SMN2KDRLMNA
SCHEMBL31240564 0.80 DYRK1A (0.48) ALDH1A1TERTKDRHPGDSACHE
SCHEMBL31240682 0.75 CDC7 (0.42) —
SCHEMBL15444518 0.74 ALDH1A1 (0.97) ALDH1A1TERTSMN1; SMN2POLBLMNA
SCHEMBL31240646 0.70 CHUK (0.62) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL31240729 0.70 CD74 (0.50) —
SCHEMBL4667937 0.70 AURKA (0.51) ALDH1A1TERTSMN1; SMN2POLBHPGDS
SCHEMBL14005995 0.69 CHRNA7 (0.80) —
SCHEMBL14005977 0.69 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLB
SCHEMBL19294806 0.69 L3MBTL1 (0.79) ALDH1A1SMN1; SMN2POLBLMNAKMT2A

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-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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