SCHEMBL7942436

SCHEMBL7942436

C1=CCC(C(c2ccccc2)(c2ccccc2)C2c3cc(-c4ccccc4)ccc3-c3ccc(-c4ccccc4)cc32)=C1.[Zr]

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
XBP1 P17861 1/20 0.32
PTBP1 P26599 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPN1 P18031 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
Hydrochloric Acid SCHEMBL6559465 0.96 MEN1 (0.31) MEN1APAF1NPC1LMNAMAPT
SCHEMBL7930866 0.84 MEN1 (0.33) MEN1APAF1NPC1LMNAMAPT
SCHEMBL7912059 0.84
SCHEMBL645973 0.83 ALDH1A1 (0.35) NPC1RAB9AL3MBTL1
SCHEMBL5174322 0.82 MAPT (0.33) MEN1MAPTKMT2AATM
Hydrochloric Acid SCHEMBL9231562 0.81
Hydrochloric Acid SCHEMBL9226383 0.81 SLC6A2 (0.32)
Hydrochloric Acid SCHEMBL7938762 0.81 MEN1 (0.33) MEN1APAF1NPC1LMNAMAPT
Hydrochloric Acid SCHEMBL7195300 0.80 MAPT (0.31) MEN1MAPTKMT2AATM
Hydrochloric Acid SCHEMBL9229867 0.79 CYP19A1 (0.32) PTPN1

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
EP-0666267-B1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-04-18 EP claimed