SCHEMBL9547411

SCHEMBL9547411

OC(O)Cc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.59
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
CHRNA7 P36544 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
CYP2A6 P11509 1/20 0.47
TBXAS1 P24557 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
RECQL P46063 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14828666 0.83 FDPS (0.56) FDPSKDM4ECYP1A2CYP2D6NAPRT
SCHEMBL12632304 0.83 FDPS (0.56) FDPSKDM4ECYP1A2CYP2D6NAPRT
SCHEMBL4726907 0.83 FDPS (0.56) FDPSKDM4ECYP1A2CYP2D6NAPRT
SCHEMBL30082869 0.83 FDPS (0.56) FDPSKDM4ECYP1A2CYP2D6NAPRT
SCHEMBL3835687 0.83 FDPS (0.56) FDPSKDM4ECYP1A2CYP2D6NAPRT
SCHEMBL9257518 0.82 FDPS (0.54) FDPSKDM4ECYP1A2CYP2D6NAPRT
SCHEMBL11798962 0.80 SMN1; SMN2 (0.56) FDPSKDM4ECYP1A2CYP2D6NAPRT
SCHEMBL21947449 0.80 FDPS (0.53) FDPSKDM4ECYP1A2CYP2D6NAPRT
SCHEMBL20038719 0.80 FDPS (0.53) FDPSKDM4ECYP1A2CYP2D6NAPRT
SCHEMBL30456305 0.80 FDPS (0.53) FDPSKDM4ECYP1A2CYP2D6NAPRT

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-5196433-A 3-SUBSTITUTED PYRIDINEMETHANOLS AND FUNGICIDES CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed