SCHEMBL8795381

SCHEMBL8795381

CC1(C)C=C(C(=NC#N)NC2CC2)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
ABCC9 O60706 1/20 0.32
EGFR P00533 1/20 0.32
MAPK1 P28482 2/20 0.31
AKR1B1 P15121 1/20 0.31
EPHX1 P07099 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 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
SCHEMBL8795895 0.87 EGFR (0.34) KMT2AMEN1MAPTALDH1A1ABCC9
SCHEMBL8795103 0.80 AKR1B1 (0.34) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8795374 0.80 AKR1B1 (0.34) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8795010 0.80 EGFR (0.36) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8793999 0.79 EGFR (0.34) POLBMAPTALDH1A1ABCC9EGFR
SCHEMBL8795892 0.79 EGFR (0.34) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8795889 0.79 EGFR (0.34) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29442980 0.79 EGFR (0.34) POLBMAPTALDH1A1ABCC9EGFR
SCHEMBL8794980 0.76 ALDH1A1 (0.36) KMT2AMEN1MAPTALDH1A1EGFR
SCHEMBL8794987 0.76 ALDH1A1 (0.36) KMT2AMEN1MAPTALDH1A1EGFR

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
EP-0541807-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-12-17 EP disclosed
US-5412117-A Potassium channel activators, antiasmatics, antiepileptics CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-02 US disclosed
EP-0541807-A1 NOVEL BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-05-19 EP disclosed