SCHEMBL30985010

SCHEMBL30985010

O=C(N1CCC2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ CRBN Q96SW2 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ SIRT6 Q8N6T7 2/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL30985057 0.92 POLB (0.51) POLBMAPTALDH1A1LMNAAKR1C3
SCHEMBL29986009 0.86 POLB (0.46) POLBMAPTALDH1A1LMNAAKR1C3
SCHEMBL16234824 0.84 AKR1C3 (0.62) POLBMAPTALDH1A1LMNAAKR1C3
SCHEMBL21526639 0.83 SIRT6 (0.52) MAPTALDH1A1LMNAAKR1C3SMN1; SMN2
SCHEMBL30984998 0.82 GFER (0.47) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL21855242 0.82 MAPT (0.53) POLBMAPTALDH1A1LMNAAKR1C3
SCHEMBL30984960 0.81 MAPT (0.72) MAPTALDH1A1LMNAAKR1C3SMN1; SMN2
SCHEMBL21855141 0.80 MAPT (0.54) POLBMAPTALDH1A1LMNAAKR1C3
SCHEMBL21855195 0.80 MAPT (0.51) POLBMAPTALDH1A1LMNAAKR1C3
SCHEMBL22466180 0.78 MAPT (0.57) POLBMAPTALDH1A1LMNAAKR1C3

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-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 — — WO disclosed
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