SCHEMBL8927062

SCHEMBL8927062

[CH]=C(c1ccccc1)c1ccc(N(CC)CC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NOX1 Q9Y5S8 3/20 0.50
CNR2 P34972 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ESRRG P62508 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
PSMD14 O00487 1/20 0.45
CYP3A4 P08684 1/20 0.45
RECQL P46063 1/20 0.45
GFER P55789 1/20 0.45
HSP90AA1 P07900 2/20 0.45
TLR9 Q9NR96 1/20 0.45

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
SCHEMBL609137 0.81 MEN1 (0.63) HSD11B1TDP1HDAC6MEN1KMT2A
Benzophenone SCHEMBL10489584 0.81 HPGD (0.63) HSD11B1TDP1HDAC6MEN1KMT2A
SCHEMBL51623 0.81 HPGD (0.63) HSD11B1TDP1HDAC6MEN1KMT2A
SCHEMBL14982110 0.81 RAB9A (0.63) HSD11B1TDP1HDAC6MEN1KMT2A
SCHEMBL610430 0.81 TDP1 (0.53) HSD11B1TDP1HDAC6MEN1KMT2A
SCHEMBL19718069 0.79 ALDH1A1 (0.48) TDP1HDAC6MEN1KMT2ANPC1
SCHEMBL27571829 0.79 CYP2C19 (0.56) MEN1KMT2ACNR2ESRRGTSHR
SCHEMBL9057697 0.79 TDP1 (0.51) HSD11B1TDP1HDAC6MEN1KMT2A
SCHEMBL141631 0.79 TDP1 (0.51) HSD11B1TDP1HDAC6MEN1KMT2A
SCHEMBL8579335 0.79 TDP1 (0.51) HSD11B1TDP1HDAC6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1323224-A Remedies photochemotherapy NIPPON KAYAKU KK (JP) 2001-11-21 CN disclosed
US-5676884-A Nonlinear optical materials containing polar disulfone-functionalized molecules MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-14 US disclosed
US-5578251-A NONLINEAR-OPTICAL RESPONSE; ALKYLATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-26 US disclosed
US-5360582-A Compositions with polymers for light sensitive elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-01 US disclosed