SCHEMBL1504252

SCHEMBL1504252

O=C=NCCCCCCN=C=O.O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.71
TSHR P16473 1/20 0.71
CYP1A2 P05177 1/20 0.53
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RY6 Q15077 1/20 0.33
TRPA1 O75762 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NAAA Q02083 4/20 0.32
MIF P14174 1/20 0.32
SLC22A2 O15244 1/20 0.30

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
SCHEMBL28077466 0.98 CYP3A4 (0.74) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL21224513 0.91 CYP3A4 (0.54) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL2044965 0.84 CYP3A4 (1.00) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL19943 0.84 CYP3A4 (1.00) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL12852256 0.84 CYP3A4 (1.00) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL1396496 0.84 CYP3A4 (1.00) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL11764558 0.84 CYP3A4 (0.57) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL30634516 0.82 CYP3A4 (0.95) CYP3A4TSHRCYP1A2MAPK1TDP1
Water SCHEMBL8522858 0.82 CYP3A4 (0.95) CYP3A4TSHRCYP1A2MAPK1TDP1
Ammonia Solution, Strong SCHEMBL3504367 0.82 CYP3A4 (0.95) CYP3A4TSHRCYP1A2MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989007123-A1 EPOXY RESIN COMPOSITIONS ANCHOR CHEMICAL TECHNICAL SERVICES LIMITED (GB) 1989-08-10 WO claimed
CN-110184023-A A kind of ultraviolet light solidification fiber optic loop adhesive 长飞光纤光缆股份有限公司 2019-08-30 CN disclosed
CN-109863020-A Gas barrier film and color converting member 凸版印刷株式会社 2019-06-07 CN disclosed
CN-107001252-B ionic diol antistatic polyurethane and preparation method thereof 3M创新有限公司 2019-04-26 CN disclosed
CN-107915829-A It is a kind of can the ultraviolet light of self-initiating cure oligomer and preparation method thereof 苏州市明大高分子科技材料有限公司 2018-04-17 CN disclosed
CN-107001252-A Ionic diol antistatic polyurethane and preparation method thereof 3M创新有限公司 2017-08-01 CN disclosed
US-20110070977-A1 COLORED GOLF BALL BRIDGESTONE SPORTS CO., LTD. (JP) 2011-03-24 US disclosed
EP-0625084-B1 ABRASIVE ARTICLE HAVING ABRASIVE COMPOSITE MEMBERS POSITIONED IN RECESSES MINNESOTA MINING & MFG (US) 1998-05-13 EP disclosed