SCHEMBL7604535

SCHEMBL7604535

C1=CCC(C(c2ccccc2)(c2ccccc2)C2c3ccccc3-c3c2ccc2ccccc32)=C1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
WDR5 P61964 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DNMT1 P26358 1/20 0.30
KDM1A O60341 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
SCHEMBL7606630 0.99 KDM4E (0.31) ALDH1A1KDM4ELMNAMAPK1WDR5
Hydrochloric Acid SCHEMBL7605151 0.98 KDM4E (0.30) ALDH1A1KDM4ELMNAMAPK1
Hydrochloric Acid SCHEMBL7937828 0.90 KDM4E (0.33) ALDH1A1KDM4ELMNAMAPK1
SCHEMBL5174322 0.86 MAPT (0.33) MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL7195300 0.83 MAPT (0.31) MEN1MAPTKMT2A
SCHEMBL7608411 0.82 MEN1 (0.32) ALDH1A1KDM4ELMNAMAPK1MEN1
Hydrochloric Acid SCHEMBL7940430 0.81 MEN1 (0.31) ALDH1A1MEN1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL7603013 0.81 MEN1 (0.31) ALDH1A1MEN1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL7939984 0.81
Hydrochloric Acid SCHEMBL7939283 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672675-B1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2002-07-24 EP disclosed
EP-0672675-A1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-09-20 EP disclosed
US-5451649-A Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-09-19 US disclosed