SCHEMBL7686935

SCHEMBL7686935

COCCOCCOc1cc(C)[c]c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
MAOA P21397 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
APP P05067 3/20 0.35
CHEK1 O14757 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7692937 0.82 NCF1 (0.41) KDM4ERECQLTDP1MAPK1LMNA
SCHEMBL12299798 0.82 ALDH1A1 (0.48) KDM4ERECQLTDP1MAPK1APP
SCHEMBL13413138 0.80 KDM4E (0.42) KDM4ERECQLTDP1MAOADYRK1A
SCHEMBL13021583 0.80 MEN1 (0.45) KDM4ERECQLTDP1MAOADYRK1A
SCHEMBL3475322 0.76 ALDH1A1 (0.41) KDM4ERECQLTDP1MAOADYRK1A
SCHEMBL22219086 0.76 ALDH1A1 (0.41) KDM4ERECQLTDP1MAOADYRK1A
SCHEMBL28826013 0.75 LTA4H (0.39) MAPK1LMNAHPGD
SCHEMBL12703538 0.74 KDM4E (0.61) KDM4ERECQLTDP1MAPK1APP
SCHEMBL3611926 0.74 KDM4E (0.61) KDM4ERECQLTDP1MAPK1APP
SCHEMBL10757339 0.74 ALDH1A1 (0.55) KDM4ERECQLTDP1MAPK1APP

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
WO-2023172667-A2 SUBSTITUTED IMIDAZO[1,5-a]PYRIDINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-09-14 WO claimed
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US claimed
WO-2023172667-A2 SUBSTITUTED IMIDAZO[1,5-a]PYRIDINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-09-14 WO disclosed