SCHEMBL9839756

SCHEMBL9839756

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
CNR2 P34972 3/20 0.48
ESRRG P62508 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
NOX1 Q9Y5S8 2/20 0.44
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9840321 0.90 CNR2 (0.43) HSD11B1CNR2ESRRGMEN1KMT2A
SCHEMBL9838217 0.88 CNR2 (0.43) HSD11B1CNR2ESRRGMEN1KMT2A
SCHEMBL9839524 0.87 CNR2 (0.45) HSD11B1CNR2MEN1KMT2ANPC1
SCHEMBL9749600 0.86 RAB9A (0.53) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL9839532 0.78 CNR2 (0.48) HSD11B1CNR2ESRRGMEN1KMT2A
SCHEMBL9839761 0.78 EGFR (0.42) ESRRGKMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL9505840 0.77 L3MBTL1 (0.60) HSD11B1CNR2ESRRGMEN1KMT2A
SCHEMBL9839734 0.76 EGFR (0.44) CNR2HDAC3HDAC1HDAC2TDP1
SCHEMBL8579335 0.76 TDP1 (0.51) HSD11B1CNR2ESRRGMEN1KMT2A
SCHEMBL8579332 0.76 TDP1 (0.51) HSD11B1CNR2ESRRGMEN1KMT2A

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