SCHEMBL23929268

SCHEMBL23929268

CCCCCCC(CC)c1cc(N)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.40
TSHR P16473 1/20 0.37
CSNK1E P49674 1/20 0.35
SRC P12931 1/20 0.34
SPHK1 Q9NYA1 2/20 0.33
SKP2 Q13309 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11440073 0.98 NR1I2 (0.38) NR1I2TSHRCSNK1ESRCSPHK1
SCHEMBL3187941 0.82 CASP1 (0.38) TSHRMAPTALDH1A1KDM4ETP53
SCHEMBL2878717 0.82 TSHR (0.38) TSHRCSNK1ESRCSPHK1SKP2
SCHEMBL11538867 0.82 TSHR (0.38) TSHRCSNK1ESRCSPHK1SKP2
Hydrochloric Acid SCHEMBL8334339 0.81 GAA (0.39) TSHRMAPTALDH1A1KDM4ETP53
SCHEMBL29744995 0.80 NR1I2 (0.42) NR1I2CSNK1EALDH1A1KDM4EPOLB
SCHEMBL27525500 0.80 OPRM1 (0.36) TSHRCSNK1ESRCSPHK1SKP2
SCHEMBL10633096 0.80 NR1I2 (0.42) NR1I2CSNK1EALDH1A1KDM4EPOLB
SCHEMBL7104911 0.80 NR1I2 (0.42) NR1I2CSNK1EALDH1A1KDM4EPOLB
SCHEMBL13285742 0.79 NR1I2 (0.37) NR1I2TSHRCSNK1ESPHK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139384-A1 ADDITIVE COMPOSITION AND USE THEREOF, CONDENSATION POLYMER COMPOSITION, MOLDING COMPOUND AND MOLDING COMPOUNDS PRODUCED THEREFROM, AND MOLDED PARTS AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-03-01 EP disclosed
WO-2021213771-A1 ADDITIVE COMPOSITION AND USE THEREOF, CONDENSATION POLYMER COMPOSITION, MOLDING COMPOUND AND MOLDING COMPOUNDS PRODUCED THEREFROM, AND MOLDED PARTS AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2021-10-28 WO disclosed
CN-106459255-B Oxygen-containing imide copolymer or high molecular polymer as flame retardant for plastic material 弗劳恩霍夫应用研究促进协会 2019-11-05 CN disclosed