SCHEMBL9148151

SCHEMBL9148151

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(N2CCCC2=O)=C1CN(O)C=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
RAB9A P51151 1/20 0.36
NCOA1 Q15788 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
HTT P42858 3/20 0.33
POLB P06746 2/20 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
MALT1 Q9UDY8 1/20 0.32
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31
CRHBP P24387 1/20 0.31
OPRK1 P41145 1/20 0.31
CRHR2 Q13324 1/20 0.31
ACHE P22303 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
SCHEMBL9144539 0.90 HTT (0.35) KMT2AMEN1RAB9ANCOA1NR1H4
SCHEMBL9150069 0.90 KMT2A (0.38) KMT2AMEN1RAB9ANCOA1NR1H4
SCHEMBL9148298 0.89 HTT (0.38) KMT2AMEN1RAB9ANCOA1NR1H4
SCHEMBL9145509 0.89 NR1H4 (0.36) KMT2AMEN1RAB9ANCOA1NR1H4
SCHEMBL9145521 0.88 MEN1 (0.36) KMT2AMEN1RAB9ANCOA1NR1H4
SCHEMBL9735138 0.88 KMT2A (0.40) KMT2AMEN1RAB9ANCOA1NR1H4
SCHEMBL9146466 0.86 MEN1 (0.36) KMT2AMEN1RAB9ANCOA1NR1H4
SCHEMBL9145753 0.86 NR1H4 (0.33) KMT2AMEN1RAB9ANCOA1NR1H4
SCHEMBL9146730 0.85 MEN1 (0.35) KMT2AMEN1RAB9ANCOA1NR1H4
SCHEMBL9144328 0.85 NR1H4 (0.37) KMT2AMEN1RAB9ANCOA1NR1H4

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