SCHEMBL28524009

SCHEMBL28524009

Nc1ccc(F)cc1C=Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 13/20 0.55
MAOB P27338 3/20 0.46
CYP19A1 P11511 2/20 0.46
MAOA P21397 2/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KCNH2 Q12809 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 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
SCHEMBL14254170 0.85 NFE2L2 (0.55) NFE2L2MAOBCYP19A1MAOAHTR2A
SCHEMBL6303896 0.81 CYP19A1 (0.59) NFE2L2MAOBCYP19A1MAOA
SCHEMBL6303895 0.81 CYP19A1 (0.59) NFE2L2MAOBCYP19A1MAOA
SCHEMBL7005405 0.80 NFE2L2 (0.53) NFE2L2MAOBHTR2AHTR2CKCNH2
Hydrochloric Acid SCHEMBL6388867 0.79 CYP19A1 (0.57) NFE2L2MAOBCYP19A1MAOA
Hydrochloric Acid SCHEMBL6388866 0.79 CYP19A1 (0.57) NFE2L2MAOBCYP19A1MAOA
SCHEMBL27900227 0.78 CYP1B1 (0.44) NFE2L2MAOBCYP19A1MAOA
SCHEMBL15566094 0.78 MAOB (0.54) NFE2L2MAOBCYP19A1MAOA
SCHEMBL15566097 0.78 MAOB (0.54) NFE2L2MAOBCYP19A1MAOA
SCHEMBL28531057 0.78 MAOA (0.46) NFE2L2MAOBCYP19A1MAOA

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
CN-109608455-B Synthesis method of indazolo [2,3-a ] quinoline and derivatives thereof 常州大学 2021-03-02 CN disclosed