SCHEMBL9150684

SCHEMBL9150684

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(N2CCCC2=O)=C1CNCCO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
RAB9A P51151 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
NCOA1 Q15788 1/20 0.35
USP2 O75604 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
HTT P42858 2/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.31
AKR1B1 P15121 1/20 0.31

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
SCHEMBL9146617 0.90 MEN1 (0.38) KMT2AMEN1RAB9ANR1H4NCOA1
SCHEMBL9144401 0.89 KMT2A (0.40) KMT2AMEN1RAB9ANR1H4NCOA1
SCHEMBL9147836 0.88 MEN1 (0.39) KMT2AMEN1RAB9ANR1H4NCOA1
SCHEMBL9735138 0.88 KMT2A (0.40) KMT2AMEN1RAB9ANR1H4NCOA1
SCHEMBL9144578 0.86 KMT2A (0.40) KMT2AMEN1RAB9ANR1H4NCOA1
SCHEMBL9147881 0.86 NR1H4 (0.39) KMT2AMEN1RAB9ANR1H4NCOA1
SCHEMBL9146528 0.86 KMT2A (0.40) KMT2AMEN1RAB9ANR1H4NCOA1
SCHEMBL9147849 0.85 NR1H4 (0.41) KMT2AMEN1RAB9ANR1H4NCOA1
SCHEMBL9146536 0.85 USP2 (0.41) KMT2AMEN1RAB9ANR1H4NCOA1
SCHEMBL9146329 0.85 MEN1 (0.36) KMT2AMEN1RAB9ANR1H4NCOA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5447943-A Smooth muscle relaxants or bronchodilators SYNTEX (U.S.A.) INC. (US) 1995-09-05 US disclosed
US-5250547-A Potassium channel activators; 5-lipoxygenase inhibitors; muscle relaxants; bronchodilators SYNTEX (U.S.A.) INC. (US) 1993-10-05 US disclosed
EP-0529654-A1 Benzopyran derivatives as potassium channel activators and 5-lipoxygenase inhibitors SYNTEX (U.S.A.) INC. (US) 1993-03-03 EP disclosed