SCHEMBL10522672

SCHEMBL10522672

Cc1nc(Sc2ccc([N+](=O)[O-])cc2)nc(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
TYMS P04818 3/20 0.47
DHFR P00374 2/20 0.47
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GFER P55789 1/20 0.46
MAPK1 P28482 3/20 0.43
HTT P42858 2/20 0.43
POLB P06746 3/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL10516611 0.91 MAPT (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10516456 0.91 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10516058 0.90 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10519474 0.88 DHFR (0.52) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10521296 0.87 MAPT (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10516552 0.87 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10522322 0.85 MAPT (0.66) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10521999 0.81 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10517551 0.78 MAPT (0.62) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10517534 0.78 MAPT (0.58) MAPTMEN1KMT2AALDH1A1KDM4E

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-4797146-A INSECTICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0226885-A1 Pyrimidylmercapto-acylanilides BAYER AG (DE) 1987-07-01 EP disclosed