SCHEMBL459642

SCHEMBL459642

CC(n1ccnc1)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.48
CYP17A1 P05093 7/20 0.46
NFKB1 P19838 1/20 0.43
QPCT Q16769 1/20 0.43
HSD17B10 Q99714 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
CYP26A1 O43174 1/20 0.43
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
USP2 O75604 1/20 0.38
ABCB11 O95342 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
TP53 P04637 1/20 0.38
PGR P06401 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL86131 0.83
SCHEMBL2990565 0.81
Bromide SCHEMBL10990647 0.81
Hydrochloric Acid SCHEMBL4251018 0.81
Fluoride SCHEMBL28816395 0.81
SCHEMBL13089935 0.79
SCHEMBL616843 0.79
SCHEMBL17902707 0.79
SCHEMBL21900876 0.79 CYP19A1 (0.50) CYP19A1CYP17A1NFKB1QPCTHSD17B10
SCHEMBL22604081 0.79 CYP19A1 (0.50) CYP19A1CYP17A1NFKB1QPCTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113463074-B Copper deposition composition and copper deposition method 广东硕成科技股份有限公司 2022-06-14 CN claimed
CN-116332853-A Nitrogen heterocyclic Gemini ionic liquid surfactant, synthesis method thereof and oil displacement system 东北石油大学 2023-06-27 CN disclosed
CN-110683991-B Gemini ionic liquid surfactant, synthesis method thereof and oil displacement system 东北石油大学 2023-05-09 CN disclosed
CN-110683991-A Gemini ionic liquid surfactant, synthetic method thereof and oil displacement system 东北石油大学 2020-01-14 CN disclosed
EP-2613754-A1 CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2013-07-17 EP disclosed
WO-2012033633-A1 CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-15 WO disclosed