SCHEMBL9123784

SCHEMBL9123784

Cc1nc(S)c([N+](=O)[O-])c(N(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9124996 0.82 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL9122183 0.81 SMN1; SMN2 (0.36) MAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL9125993 0.79 CRHR1 (0.36) TDP1
SCHEMBL1123483 0.79 MAPT (0.42) MAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL9126075 0.77 MAPT (0.45) MAPTALDH1A1TDP1
SCHEMBL9125112 0.75 CRHR1 (0.34) MAPTALDH1A1
SCHEMBL10998149 0.74 MEN1 (0.34) MAPTALDH1A1TDP1
SCHEMBL9121399 0.71 KMT2A (0.48) MAPTALDH1A1
SCHEMBL9124621 0.71 MAPT (0.44) MAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL9122466 0.69 ALDH1A1 (0.37) MAPTALDH1A1TDP1SMN1; SMN2

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-5397781-A Pyrimidine derivatives MOCHIDA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-03-14 US disclosed
EP-0561175-A1 Pyrimidine derivatives and pharmaceutical compostions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-09-22 EP disclosed