SCHEMBL9540293

SCHEMBL9540293

Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)C(Cc3ccc([N+](=O)[O-])cc3)CN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 1/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HTT P42858 3/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL4092772 0.94 LMNA (0.52) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL9906200 0.92 LMNA (0.52) ALDH1A1MAPTKMT2ALMNAMAPK1
SCHEMBL4097232 0.88 LMNA (0.51) ALDH1A1MAPTKMT2ALMNAMAPK1
SCHEMBL9906209 0.87 CD4 (0.45) ALDH1A1MAPTKMT2ALMNA
SCHEMBL9273582 0.85 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAHTTPOLB
SCHEMBL8192516 0.85 GAA (0.55) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL9906206 0.85 CD4 (0.45) ALDH1A1MAPTLMNA
SCHEMBL8136774 0.82 L3MBTL1 (0.46) ALDH1A1MAPTKMT2ALMNAHSP90AA1
SCHEMBL19157382 0.82 LMNA (0.48) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL9485554 0.78 KMT2A (0.60) ALDH1A1KMT2ALMNAHTTPOLB

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-1993002652-A2 MODIFIED HAPTENS USEFUL AS IMAGING AND THERAPEUTIC AGENTS HYBRITECH INCORPORATED (US) 1993-02-18 WO disclosed