SCHEMBL22433797

SCHEMBL22433797

c1ccc(-c2cc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CDC14B O60729 1/20 0.30
CDC14A Q9UNH5 1/20 0.30

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
SCHEMBL16639333 0.94 ALOX5 (0.36) ALOX5CDC14BCDC14A
SCHEMBL16641956 0.93 ALOX5 (0.39) ALOX5CDC14BCDC14A
SCHEMBL16639311 0.92 ALOX5 (0.35) ALOX5CDC14BCDC14A
SCHEMBL16639331 0.92 ALOX5 (0.38) ALOX5CDC14BCDC14A
SCHEMBL22433779 0.91 ALOX5 (0.39) ALOX5CDC14BCDC14A
SCHEMBL22433787 0.90 ALOX5 (0.40) ALOX5CDC14BCDC14A
SCHEMBL22433782 0.90 MMP12 (0.32) ALOX5CA12CA1CA2CA9
SCHEMBL26569025 0.89 ALOX5 (0.37) ALOX5CDC14BCDC14A
SCHEMBL16639612 0.89 ALOX5 (0.33) ALOX5CDC14BCDC14A
SCHEMBL16639610 0.89 ALOX5 (0.34) ALOX5CDC14BCDC14A

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
WO-2020182070-A1 COMPOUND USING TRIARYLAMINE CONTAINING PYRENE OR AZAPYRENE AS CORE AND APPLICATION THEREOF 江苏三月光电科技有限公司 2020-09-17 WO disclosed