SCHEMBL9198575

SCHEMBL9198575

CCc1nnc(-c2ccc(O)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
MGAM O43451 2/20 0.55
SI P14410 2/20 0.55
MGAM2 Q2M2H8 2/20 0.55
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.41
MAPT P10636 3/20 0.41
SNCA P37840 1/20 0.40
GUSB P08236 1/20 0.40
ESR1 P03372 1/20 0.39

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
SCHEMBL6658410 0.82 RAB9A (0.54) GAAMGAMSIMGAM2HDAC1
SCHEMBL865195 0.81 GAA (0.59) GAAMGAMSIMGAM2HDAC1
SCHEMBL10271445 0.81 KDM4E (0.48) HDAC1HDAC2TRPM8MAPTSMN1; SMN2
SCHEMBL8402852 0.81 ALDH1A1 (0.52) HDAC6MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8742458 0.80 PTGS2 (0.53) GAAMGAMSIMGAM2MAPT
SCHEMBL7528631 0.80 PTGS2 (0.53) GAAMGAMSIMGAM2MAPT
SCHEMBL8742498 0.80 PTGS2 (0.53) GAAMGAMSIMGAM2MAPT
Hydrochloric Acid SCHEMBL18641002 0.80 GAA (0.58) GAAMGAMSIMGAM2HDAC1
SCHEMBL9702825 0.80 RAB9A (0.47) GAAMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6660612 0.80 GAA (0.72) GAAMGAMSIMGAM2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037268-C Antipicornaviral pyridazinamines JANSSEM PHARMACEUTICA N V (BE) 1998-02-04 CN disclosed
EP-0435381-B1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 1995-11-02 EP disclosed
US-5196535-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-23 US disclosed
US-5100893-A Viricides, effective against picorna virus, durability JANSSEN PHARMACEUTICA N.V. (BE) 1992-03-31 US disclosed
CN-1052857-A The preparation method of the pyridazine amine that antipicornaviral is used JANSSEN PHARMACEUTICA NV (BE) 1991-07-10 CN disclosed
EP-0435381-A1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-03 EP disclosed