SCHEMBL8968392

SCHEMBL8968392

COc1ccc(C(=O)C[n+]2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
HTT P42858 2/20 0.53
PABPC1 P11940 1/20 0.51
HSP90AA1 P07900 1/20 0.51
LMNA P02545 5/20 0.51
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.48
MITF O75030 1/20 0.47
NR2F2 P24468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD11B1 P28845 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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 0.90 ATM (0.67) KDM4EKMT2AATMHTTPABPC1
Bromide SCHEMBL8196992 0.89 KMT2A (0.65) KDM4EKMT2AATMHTTPABPC1
SCHEMBL8662086 0.87 ATM (0.60) KDM4EKMT2AATMHTTPABPC1
SCHEMBL8968159 0.85 KDM4E (0.63) KDM4EKMT2AATMHTTPABPC1
SCHEMBL8662089 0.82 ATM (0.58) KDM4EKMT2AATMHTTPABPC1
SCHEMBL13203515 0.76 KDM4E (0.96) KDM4EKMT2AATMHTTPABPC1
SCHEMBL17763411 0.76 NPC1 (0.50) KMT2ALMNAALDH1A1NPSR1HSD17B10
SCHEMBL9502792 0.76 LTA4H (0.47) HSP90AA1LMNAALDH1A1NPSR1HSD17B10
Bromide SCHEMBL31501121 0.76 ATM (0.68) KDM4EKMT2AATMHTTLMNA
SCHEMBL765905 0.75 KDM4E (0.76) KDM4EKMT2AATMHTTPABPC1

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
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