SCHEMBL8554714

SCHEMBL8554714

CON=C(C(=O)Oc1ccc(OCc2ccccn2)cc1)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.57
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SYK P43405 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
SMO Q99835 6/20 0.44
MAPK14 Q16539 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 1/20 0.43
ADAMTS4 O75173 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL8559814 0.88 PARP10 (0.45) PARP10SMN1; SMN2SMOMAPK14MEN1
SCHEMBL8559076 0.83 KMT2A (0.40) PARP10KDM4EALDH1A1SMOMAPK14
SCHEMBL8557020 0.83 GPBAR1 (0.46) SMN1; SMN2KMT2AMAPT
SCHEMBL8555940 0.82 ADORA3 (0.41) PARP10KDM4EALDH1A1SMN1; SMN2SMO
SCHEMBL8554930 0.82 GPBAR1 (0.62)
SCHEMBL8555090 0.81 GPBAR1 (0.61)
SCHEMBL8557214 0.80 ADORA3 (0.47) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8557149 0.78 KMT2A (0.38) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1732629 0.77 PARP10 (0.69) PARP10KDM4EALDH1A1SMN1; SMN2SYK
SCHEMBL30320388 0.77 PARP10 (0.69) PARP10KDM4EALDH1A1SMN1; SMN2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US claimed
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed