SCHEMBL817722

SCHEMBL817722

C/C(=C/C1CCNC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
KMT2A Q03164 2/20 0.36
CHRM3 P20309 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL817793 0.90 KDM1A (0.45) KDM1AKMT2A
SCHEMBL817420 0.90 KDM1A (0.50) KDM1AKMT2ACHRM3SLC18A3SIGMAR1
SCHEMBL818384 0.74 KDM1A (0.56) KDM1ACHRM3
SCHEMBL817650 0.73 KMT2A (0.43) KDM1AKMT2ACHRM3
SCHEMBL20257160 0.72
SCHEMBL10349772 0.72 CHRM3 (0.50) KMT2ACHRM3SLC18A3SIGMAR1MEN1
SCHEMBL8074183 0.69 SLC18A3 (0.41) KDM1AKMT2ASLC18A3SIGMAR1MEN1
SCHEMBL817948 0.69 GBA1 (0.46) KDM1AKMT2ASLC18A3SIGMAR1MEN1
SCHEMBL6611353 0.69 SLC6A3 (0.49) KDM1ALMNA
SCHEMBL818679 0.68 KMT2A (0.53) KMT2A

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
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed