SCHEMBL28849149

SCHEMBL28849149

[CH2]CC(C=C)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
IDO1 P14902 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACP3 P15309 3/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL7789516 0.85 SIGMAR1 (0.53) SMN1; SMN2TSHRSIGMAR1ATML3MBTL1
SCHEMBL3298559 0.80 SMN1; SMN2 (0.46) SMN1; SMN2TSHRSIGMAR1ATML3MBTL1
SCHEMBL5478275 0.80 SMN1; SMN2 (0.46) SMN1; SMN2TSHRSIGMAR1ATML3MBTL1
SCHEMBL2450662 0.78 SMN1; SMN2 (0.51) SMN1; SMN2TSHRSIGMAR1ATML3MBTL1
SCHEMBL19985055 0.74 SMN1; SMN2 (0.51) SMN1; SMN2TSHRSIGMAR1ATML3MBTL1
SCHEMBL21193056 0.74 SIGMAR1 (0.55) SMN1; SMN2TSHRSIGMAR1ATML3MBTL1
SCHEMBL859511 0.74 SMN1; SMN2 (0.51) SMN1; SMN2TSHRSIGMAR1ATML3MBTL1
SCHEMBL3293876 0.73 SMN1; SMN2 (0.59) SMN1; SMN2TSHRSIGMAR1ATML3MBTL1
SCHEMBL4843164 0.73 SMN1; SMN2 (0.59) SMN1; SMN2TSHRSIGMAR1ATML3MBTL1
SCHEMBL1678150 0.71 SMN1; SMN2 (0.66) SMN1; SMN2TSHRSIGMAR1ATML3MBTL1

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
CN-107075143-A Glass fiber sizing composition, sized glass fiber and polyolefin composite material 特伦尼有限公司 2017-08-18 CN disclosed