SCHEMBL18906038

SCHEMBL18906038

OCCCNc1ccncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
KDM4D Q6B0I6 1/20 0.47
FYN P06241 1/20 0.47
HRH4 Q9H3N8 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
CHEK1 O14757 1/20 0.40
PRKCA P17252 2/20 0.38
PRKCD Q05655 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 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
SCHEMBL30775333 1.00 NUDT1 (0.56) NUDT1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL235705 0.95 NUDT1 (0.50) NUDT1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL210080 0.93 NUDT1 (0.49) NUDT1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL22110996 0.89 SMN1; SMN2 (0.50) NUDT1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL32678784 0.89 SMN1; SMN2 (0.50) NUDT1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL32678778 0.89 SMN1; SMN2 (0.50) NUDT1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL32678782 0.89 SMN1; SMN2 (0.50) NUDT1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL2638413 0.81 TLR8 (0.56) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30593302 0.81 TLR8 (0.56) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30775279 0.81 CYP2C19 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9

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
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed