SCHEMBL817944

SCHEMBL817944

CC/C(=C(/C)c1ccccc1)C1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
SLC6A1 P30531 2/20 0.40
SLC6A11 P48066 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
NOS2 P35228 1/20 0.36
CYP2D6 P10635 1/20 0.36
F10 P00742 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
SCHEMBL817589 0.91 KMT2A (0.37) KMT2AMAPT
SCHEMBL818792 0.82 GBA1 (0.39) KMT2ALMNASMN1; SMN2ATMCYP2D6
SCHEMBL816984 0.75 ATM (0.38) KMT2ATSHRLMNASMN1; SMN2MAPT
SCHEMBL27840472 0.72 KDM1A (0.50) KMT2ASLC6A1SLC6A11TSHRLMNA
SCHEMBL638646 0.72 SLC6A1 (0.56) KMT2ASLC6A1SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL4028302 0.71 SLC6A1 (0.55) KMT2ASLC6A1SLC6A11TSHRLMNA
SCHEMBL817793 0.66 KDM1A (0.45) KMT2A
SCHEMBL818679 0.66 KMT2A (0.53) KMT2A
Ethylbenzene SCHEMBL27720221 0.65 TP53 (0.47) KMT2A
SCHEMBL29239249 0.64

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