SCHEMBL20842808

SCHEMBL20842808

O=Cc1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)cs1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.72
▸ GAA P10253 4/20 0.51
▸ GSTO1 P78417 1/20 0.51
▸ MGAM O43451 1/20 0.51
▸ SI P14410 1/20 0.51
▸ MGAM2 Q2M2H8 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ POLB P06746 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GUSB P08236 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL25613990 0.86 DHODH (0.69) DHODHGAAGSTO1MGAMSI
SCHEMBL20956565 0.84 DHODH (1.00) DHODHGSTO1MAPTKDM4EPOLB
SCHEMBL29911563 0.84 DHODH (1.00) DHODHGSTO1MAPTKDM4EPOLB
SCHEMBL19631365 0.84 DHODH (1.00) DHODHGSTO1MAPTKDM4EPOLB
SCHEMBL25613895 0.83 DHODH (0.66) DHODHGAAMGAMSIMGAM2
SCHEMBL16742081 0.83 DHODH (0.72) DHODHGAAMGAMSIMGAM2
SCHEMBL16742080 0.83 DHODH (0.72) DHODHGAAMGAMSIMGAM2
SCHEMBL19631392 0.81 DHODH (0.78) DHODHGSTO1MAPTKDM4EPOLB
SCHEMBL20836121 0.80 DHODH (1.00) DHODHGAAGSTO1MGAMSI
SCHEMBL19631464 0.80 DHODH (1.00) DHODHGAAGSTO1MGAMSI

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-3459937-B1 THIAZOLE DERIVATIVE AND APPLICATIONS UNIV EAST CHINA SCIENCE & TECH (CN) 2021-12-29 — — EP disclosed
EP-3459937-A1 THIAZOLE DERIVATIVE AND APPLICATIONS East China University of Science and Technology (CN) 2019-03-27 — — EP disclosed
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