SCHEMBL9067995

SCHEMBL9067995

C=CCOc1cc(OC)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.56
ALDH1A1 P00352 4/20 0.45
MAOB P27338 2/20 0.44
HTR2C P28335 5/20 0.42
HTR2B P41595 5/20 0.42
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14236452 0.81 FLT3 (0.53) FLT3ALDH1A1KDM4ECA12CA1
SCHEMBL10157278 0.80 FLT3 (0.52) FLT3ALDH1A1MAOBHTR2CKDM4E
SCHEMBL9441730 0.80 FLT3 (0.52) FLT3ALDH1A1KDM4ECA12CA1
SCHEMBL3954097 0.80 ALDH1A1 (0.58) FLT3ALDH1A1KDM4ECA12CA1
SCHEMBL31432706 0.80 FLT3 (0.52) FLT3ALDH1A1KDM4ECA12CA1
SCHEMBL140613 0.79 HTR2C (0.43) ALDH1A1HTR2CHTR2BKDM4EGAA
SCHEMBL12093386 0.79 HTT (0.47) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL7623243 0.79 MAPT (0.49) ALDH1A1HTR2CHTR2BCA12CA1
SCHEMBL2842624 0.79 FLT3 (0.51) FLT3ALDH1A1KDM4ECA12CA1
SCHEMBL8466480 0.78 MEN1 (0.40) FLT3ALDH1A1MAOBHTR2CHTR2B

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
US-5523475-A New compounds AKTIEBOLAGET ASTRA (SE) 1996-06-04 US disclosed