SCHEMBL9503430

SCHEMBL9503430

N#Cc1nc(NN)sc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
GAA P10253 5/20 0.36
MAPT P10636 9/20 0.34
AGTR1 P30556 1/20 0.34
IDO1 P14902 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 6/20 0.32
MEN1 O00255 6/20 0.32
KMT2A Q03164 6/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 6/20 0.31
NPC1 O15118 3/20 0.30
TDP1 Q9NUW8 4/20 0.30
PKM P14618 3/20 0.30
RAB9A P51151 3/20 0.30
MAPK1 P28482 2/20 0.30
ALOX12 P18054 2/20 0.30
HPGD P15428 1/20 0.30
GFER P55789 1/20 0.30
HTT P42858 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
SCHEMBL9505628 0.78 SMN1; SMN2 (0.53) KDM4EGAAMAPTIDO1SMN1; SMN2
SCHEMBL3817613 0.78 GAA (0.43) KDM4EGAAMAPTAGTR1IDO1
SCHEMBL9224524 0.73 P2RY1 (0.43) KDM4EGAAMAPTIDO1SMN1; SMN2
SCHEMBL5537146 0.71 KDM4E (0.34) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL17088286 0.67 KDM4E (0.34) KDM4EGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL9501596 0.67 MEN1 (0.34) KDM4EGAASMN1; SMN2MEN1KMT2A
SCHEMBL10968419 0.67
SCHEMBL14224022 0.66 NPC1 (0.51) KDM4EGAAMAPTSMN1; SMN2LMNA
SCHEMBL18387206 0.62 MAPK1 (0.36) KDM4EGAALMNAALDH1A1NPC1
SCHEMBL11224659 0.60 GAA (0.31) GAAALDH1A1

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-0316731-B1 AZO DYES FROM 2-HYDRAZINOTHIAZOLE, THEIR USE IN DYEING AND PRINTING FIBRE MATERIALS, AND IN SUBLIMATION TRANSFER PRINTING BAYER AG (DE) 1993-05-19 EP disclosed
EP-0316731-A2 Azo dyes from 2-hydrazinothiazole, their use in dyeing and printing fibre materials, and in sublimation transfer printing BAYER AG (DE) 1989-05-24 EP disclosed