SCHEMBL19007619

SCHEMBL19007619

CCC(C)C(=N)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F12 P00748 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
TRPA1 O75762 2/20 0.38
BLM P54132 1/20 0.38
TSHR P16473 1/20 0.38
CES2 O00748 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
SCHEMBL7369308 0.82 LMNA (0.43) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL25709673 0.79 ALDH1A1 (0.45) LMNAADRA2BKCNH2ALDH1A1F2
SCHEMBL11216961 0.78 PTPN1 (0.36) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL9491420 0.77 LMNA (0.43) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL28685314 0.77 PKM (0.52) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL4578842 0.76 LMNA (0.41) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL27541797 0.75 SMN1; SMN2 (0.40) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL10410771 0.74 LMNA (0.44) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL10740235 0.74 ATM (0.43) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL10489465 0.74 PGR (0.58) LMNAPGRADRA2AADRA2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017105041-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-22 WO disclosed