SCHEMBL7141052

SCHEMBL7141052

Cc1ccc([Zr])c2c1-c1ccccc1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
MAP3K9 P80192 1/20 0.38
MAP3K11 Q16584 1/20 0.38
PGR P06401 1/20 0.36
MAOA P21397 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
BCHE P06276 2/20 0.34

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
SCHEMBL8857148 0.85 PNMT (0.43) PNMTMAP3K9MAP3K11PGRMAOA
SCHEMBL29859431 0.85 PNMT (0.43) PNMTMAP3K9MAP3K11PGRMAOA
SCHEMBL9841135 0.80 PGR (0.40) PNMTMAP3K9MAP3K11PGRMAOA
SCHEMBL7873617 0.79 PNMT (0.39) PNMTMAP3K9MAP3K11PGRMAOA
SCHEMBL5404545 0.79 PNMT (0.42) PNMTMAP3K9MAP3K11PGRMAOA
SCHEMBL5404542 0.79 MAP3K9 (0.41) PNMTMAP3K9MAP3K11PGRMAOA
SCHEMBL13777275 0.79 PNMT (0.39) PNMTMAP3K9MAP3K11PGRMAOA
Hydrochloric Acid SCHEMBL9579948 0.79 MAP3K9 (0.41) PNMTMAP3K9MAP3K11PGRMAOA
Hydrochloric Acid SCHEMBL7251521 0.77 MAP3K9 (0.41) PNMTMAP3K9MAP3K11PGRMAOA
Hydrochloric Acid SCHEMBL5345926 0.77 MAP3K9 (0.41) PNMTMAP3K9MAP3K11PGRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073789-A1 PROCESS FOR PRODUCTION OF OLEFIN POLYMER TOSOH CORPORATION (JP) 2003-04-17 US disclosed
CN-1060176-C Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-01-03 CN disclosed
CN-1049438-C Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2000-02-16 CN disclosed
CN-1117975-A Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 1996-03-06 CN disclosed
CN-1109472-A Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 1995-10-04 CN disclosed