SCHEMBL9645498

SCHEMBL9645498

CCCn1cc(C)nc1CC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
GRM5 P41594 1/20 0.35
TYR P14679 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.32
PDE2A O00408 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL14305754 0.88 CYP19A1 (0.43) CYP19A1SMN1; SMN2TSHRLMNAHTT
SCHEMBL5691629 0.85 TLR8 (0.42) CYP19A1ALDH1A1KMT2A
SCHEMBL5691544 0.85 TLR8 (0.42) CYP19A1ALDH1A1KMT2A
SCHEMBL16267964 0.84 CYP19A1 (0.47) CYP19A1SMN1; SMN2TSHRLMNAHTT
SCHEMBL585669 0.84 CYP19A1 (0.43) CYP19A1SMN1; SMN2TSHRLMNAHTT
SCHEMBL27850120 0.83 CYP19A1 (0.45) CYP19A1SMN1; SMN2TSHRLMNAHTT
SCHEMBL6855316 0.83 CYP19A1 (0.47) CYP19A1SMN1; SMN2TSHRLMNAHTT
SCHEMBL24880321 0.81 PDE10A (0.36) CYP19A1TSHRGRM5TYRPDE10A
SCHEMBL1435520 0.81 CYP19A1 (0.41) CYP19A1SMN1; SMN2TSHRLMNAHTT
SCHEMBL16268174 0.81 CYP19A1 (0.44) CYP19A1SMN1; SMN2TSHRLMNAHTT

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-107365439-B Novel chloroprene rubber vulcanization method 华南理工大学 2020-02-18 CN claimed
US-5081217-A Curable resins with low dielectric constants SHELL OIL COMPANY (US) 1992-01-14 US disclosed
US-4514556-A REACTION OF 2-ETHYL-4-METHYL IMIDAZOLE WITH CATALYST AND FORMALDEHYDE OR METHYLENIZING AGENT, CURING AGENT FOR EPOXY RESIN SHIKOKU CHEMICALS CORPORATION (JP) 1985-04-30 US disclosed
EP-0126531-A2 4,4'-Methylene-bis-(2-ethyl-5-methyl imidazole) and methods of producing and using the same SHIKOKU CHEMICALS CORPORATION (JP) 1984-11-28 EP disclosed