SCHEMBL9192546

SCHEMBL9192546

C=Cc1ccnc(CCOCC)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MYC P01106 6/20 0.33
NCF1 P14598 2/20 0.31
UTS2R Q9UKP6 1/20 0.31
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9764334 0.82 KDM4E (0.49) KDM4ELMNACYP3A4TSHRTP53
SCHEMBL9764204 0.79 LMNA (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL321696 0.78 CYP1A2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Iodide SCHEMBL27088326 0.76 CYP1A2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Bromide SCHEMBL28155749 0.76 CYP1A2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28290080 0.76 KCNH2 (0.43) KDM4ELMNACYP3A4TSHRTDP1
SCHEMBL3696387 0.76 KCNH2 (0.43) KDM4ELMNACYP3A4TSHRTDP1
SCHEMBL28167678 0.76 KCNH2 (0.43) KDM4ELMNACYP3A4TSHRTDP1
Bromide SCHEMBL30568709 0.75 KCNH2 (0.42) KDM4ELMNACYP3A4TSHRTDP1
Bromide SCHEMBL28288622 0.75 KCNH2 (0.42) KDM4ELMNACYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538789-B1 Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from vinyl compounds containing heterocyclic nitrogen groups BRIDGESTONE CORP (JP) 1995-12-13 EP disclosed
EP-0538789-A1 Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from vinyl compounds containing heterocyclic nitrogen groups BRIDGESTONE CORPORATION (JP) 1993-04-28 EP disclosed