SCHEMBL9839532

SCHEMBL9839532

CCN(CC)c1ccc(C(=CC(C=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)C(C(=O)c2ccccc2)C(=O)c2ccccc2)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
ESRRG P62508 1/20 0.45
HSD11B1 P28845 1/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
NOX1 Q9Y5S8 2/20 0.44
PGR P06401 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
POLB P06746 4/20 0.40

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
SCHEMBL9838241 0.90 CNR2 (0.43) CNR2ESRRGMEN1KMT2APGR
SCHEMBL9839527 0.87 CNR2 (0.45) CNR2MEN1KMT2APGRADRA2A
SCHEMBL9839519 0.85 RAB9A (0.54) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL9838517 0.83 MAPT (0.47) CNR2ESRRGHSD11B1MEN1KMT2A
SCHEMBL9839756 0.78 HSD11B1 (0.51) CNR2ESRRGHSD11B1MEN1KMT2A
SCHEMBL7884419 0.76 TDP1 (0.51) CNR2ESRRGHSD11B1MEN1KMT2A
SCHEMBL141631 0.76 TDP1 (0.51) CNR2ESRRGHSD11B1MEN1KMT2A
SCHEMBL9408477 0.76 TDP1 (0.51) CNR2ESRRGHSD11B1MEN1KMT2A
SCHEMBL8579332 0.76 TDP1 (0.51) CNR2ESRRGHSD11B1MEN1KMT2A
SCHEMBL8579335 0.76 TDP1 (0.51) CNR2ESRRGHSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed