SCHEMBL6255331

SCHEMBL6255331

COc1ccc(C(NC(=O)C(C)(C)Nc2nc(-c3ccc([N+](=O)[O-])cc3)co2)C2CCCCC2)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ SGK1 O00141 1/20 0.33
▸ MAPT P10636 8/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ FOLH1 Q04609 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAOB P27338 5/20 0.32

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
SCHEMBL6994303 0.89 ALDH1A1 (0.37) MEN1KMT2ASGK1MAPTLMNA
SCHEMBL6251031 0.89 ALDH1A1 (0.37) MEN1KMT2ASGK1MAPTLMNA
SCHEMBL6254285 0.86 MAPT (0.46) MEN1KMT2ASGK1MAPTLMNA
SCHEMBL6252251 0.84 NMBR (0.48) —
SCHEMBL6254308 0.81 PGR (0.38) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6255326 0.77 NMBR (0.51) MEN1KMT2APIK3CAPIK3CBPIK3CG
SCHEMBL6253540 0.73 NMBR (0.38) MAPTPOLB
SCHEMBL6252297 0.72 NMBR (0.48) MEN1KMT2AMAPTLMNA
SCHEMBL6990221 0.72 NMBR (0.48) MEN1KMT2AMAPTLMNA
SCHEMBL7092917 0.72 FPR1 (0.37) KMT2AMAPTPOLB

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
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 — — EP disclosed
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