SCHEMBL8662086

SCHEMBL8662086

COc1ccc(C(=O)C[n+]2ccccc2)cc1.F[B-](F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
KDM4E B2RXH2 2/20 0.59
KMT2A Q03164 1/20 0.57
HTT P42858 1/20 0.56
PABPC1 P11940 1/20 0.55
HSP90AA1 P07900 1/20 0.55
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GSK3B P49841 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL14819135 0.94 ATM (0.67) ATMKDM4EKMT2AHTTPABPC1
Bromide SCHEMBL8196992 0.92 KMT2A (0.65) ATMKDM4EKMT2AHTTPABPC1
SCHEMBL8662089 0.89 ATM (0.58) ATMKDM4EKMT2AHTTPABPC1
SCHEMBL8968392 0.87 KDM4E (0.58) ATMKDM4EKMT2AHTTPABPC1
SCHEMBL8660257 0.83 KDM4E (0.64) ATMKDM4EKMT2AHTTPABPC1
SCHEMBL8825043 0.82 KDM4E (0.72) ATMKDM4EKMT2AHTTPABPC1
Bromide SCHEMBL31501121 0.79 ATM (0.68) ATMKDM4EKMT2AHTTLMNA
Hydrochloric Acid SCHEMBL8660681 0.77 TDP1 (0.56) ATMKDM4EKMT2AHTTPABPC1
SCHEMBL16810262 0.76 KDM4E (0.67) ATMKDM4EKMT2AHTTPABPC1
SCHEMBL13203515 0.76 KDM4E (0.96) ATMKDM4EKMT2AHTTPABPC1

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-0681225-B1 Electrostatic toner comprising phenacyl compounds BASF AG (DE) 1998-11-18 EP disclosed
US-5541032-A CHARGE STABILIZERS WHICH ARE INSENSITIVE TO MOISTURE, HEAT RESISTANT AND PRODUCE CRISP, UNIFORM VISIBLE IMAGES OF HIGH COLOR INTENSITY BASF AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
EP-0681225-A1 Electrostatic toner comprising phenacyl compounds BASF AKTIENGESELLSCHAFT (DE) 1995-11-08 EP disclosed