SCHEMBL9017912

SCHEMBL9017912

Oc1cnccc1/N=C/N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CACNA1B Q00975 1/20 0.32
CHKA P35790 1/20 0.32
ERN1 O75460 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM3 P20309 2/20 0.31

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
SCHEMBL9017919 1.00 POLB (0.35) POLBHTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9017845 0.98 HTT (0.37) POLBHTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9017859 0.98 HTT (0.37) POLBHTTSMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL9680977 0.98 POLB (0.35) POLBHTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9017861 0.98 HTT (0.37) POLBHTTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL9017848 0.98 HTT (0.37) POLBHTTSMN1; SMN2CYP1A2CYP2C19
Dimethylcarbate SCHEMBL9679888 0.89 POLB (0.33) POLBHTTSMN1; SMN2CYP1A2CYP2C19
Dimethylcarbate SCHEMBL9679881 0.89 POLB (0.33) POLBHTTSMN1; SMN2CYP1A2CYP2C19
Dimethylcarbate SCHEMBL9679403 0.88 HTT (0.34) POLBHTTSMN1; SMN2CYP1A2CYP2C19
Dimethylcarbate SCHEMBL9679397 0.88 HTT (0.34) POLBHTTSMN1; SMN2CYP1A2CYP2C19

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-0477903-B1 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-04-03 EP disclosed
EP-0477903-A2 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-04-01 EP disclosed