SCHEMBL818679

SCHEMBL818679

C/C(=C/CC1CCCNC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
EED O75530 3/20 0.39
GPR88 Q9GZN0 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
KHK P50053 1/20 0.36

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
SCHEMBL817650 0.91 KMT2A (0.43) KMT2ASLC6A2SLC6A4
SCHEMBL817948 0.82 GBA1 (0.46) KMT2A
SCHEMBL817793 0.75 KDM1A (0.45) KMT2AKHK
SCHEMBL816885 0.73 KDM1A (0.42)
SCHEMBL30731292 0.72 KMT2A (0.58) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13122649 0.72 KMT2A (0.74) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3444511 0.72 KMT2A (0.74) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL818252 0.72 KMT2A (0.57) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3444508 0.72 KMT2A (0.74) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL817513 0.70 KMT2A (0.70) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3

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