SCHEMBL9642249

SCHEMBL9642249

O=C1CNc2ccc(F)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
MAOB P27338 6/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
LRRK2 Q5S007 2/20 0.33
KDM4E B2RXH2 1/20 0.32
AKR1B10 O60218 1/20 0.31
AKR1A1 P14550 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
SCHEMBL17991465 0.79 ALDH1A1 (0.41) MAPTCYP1A2CYP2C19PARP1PARP10
SCHEMBL7275367 0.79 MAPT (0.35) KMT2AMAPTGAANPSR1CA9
SCHEMBL23426467 0.76 FABP6 (0.40) FABP6KMT2A
SCHEMBL29358961 0.73 GAA (0.60) KMT2AMAPTPARP1GAANPSR1
SCHEMBL323313 0.73 GAA (0.60) KMT2AMAPTPARP1GAANPSR1
SCHEMBL9642426 0.72
SCHEMBL38662859 0.70 ALOX5 (0.46) KMT2AMAPTCYP1A2CYP2C19CA12
SCHEMBL17086925 0.70 ALOX5 (0.46) KMT2AMAPTCYP1A2CYP2C19CA12
SCHEMBL15763904 0.69 FABP6 (0.39) FABP6MAOBCA12CA2CA9
SCHEMBL22394766 0.69 AHR (0.42) KMT2AMAPTCYP1A2PARP1PARP10

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-5108483-A HERBICIDAL 6-HETEROCYCLIC GROUP SUBSTITUTED BENZOXAZINES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-28 US disclosed
EP-0427031-A2 N-aryl-nitrogen heterocycles BAYER AG (DE) 1991-05-15 EP disclosed