SCHEMBL10923979

SCHEMBL10923979

NCC(O)COc1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58
ALOX15 P16050 1/20 0.58
NR2E1 Q9Y466 1/20 0.58
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
LIPE Q05469 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
AGTR1 P30556 1/20 0.46
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALPG P10696 1/20 0.45
PTK2B Q14289 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
SCHEMBL21634013 0.85 KMT2A (0.48) KCNH2ALOX15NR2E1L3MBTL1SMN1; SMN2
SCHEMBL21634014 0.85 KMT2A (0.48) KCNH2ALOX15NR2E1L3MBTL1SMN1; SMN2
SCHEMBL7775128 0.85 CYP1A2 (0.65) CA1CA2CA7CA9LIPE
SCHEMBL6075106 0.83 RAB9A (0.59) MAPTL3MBTL1LMNACYP1A2LTA4H
SCHEMBL6797677 0.83 RAB9A (0.59) MAPTL3MBTL1LMNACYP1A2LTA4H
SCHEMBL10926521 0.82 KMT2A (0.53) KCNH2ALOX15NR2E1CA1CA2
SCHEMBL773087 0.80 MAOB (0.59) MAPK1SMN1; SMN2TSHR
SCHEMBL3716211 0.79 CYP1A2 (0.72) KCNH2ALOX15NR2E1MAPTL3MBTL1
SCHEMBL11711802 0.79 ALOX15 (0.66) KCNH2ALOX15NR2E1L3MBTL1LMNA
SCHEMBL16633105 0.79 CA1 (0.73) CA1CA2CA7CA9MAPK1

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-0171702-A1 Benzoxazinone derivatives, preparation and use BEECHAM GROUP PLC (GB) 1986-02-19 EP disclosed