SCHEMBL11071900

SCHEMBL11071900

CCCCSc1cc([N+](=O)[O-])cc(C(=O)NC)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
GAA P10253 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ALOX12 P18054 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MGLL Q99685 1/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL11072034 0.95 ALDH1A1 (0.37) MAPTHTTTP53AKR1B1ALDH1A1
SCHEMBL11063934 0.88 MAPT (0.41) MAPTHTTTP53AKR1B1ALDH1A1
SCHEMBL11063854 0.74 CA1 (0.58) MAPTHTTALDH1A1SLC6A2SLC6A4
SCHEMBL11075437 0.72 MAPT (0.42) MAPTTP53SLC6A2SLC6A4SLC6A3
SCHEMBL10727373 0.71 HTT (0.47) MAPTHTTALDH1A1SLC6A2SLC6A4
SCHEMBL11069902 0.70 PLK1 (0.41) CA1CA2
SCHEMBL10727939 0.70 CA1 (0.49) MAPTHTTGAAHDAC3HDAC1
SCHEMBL6674869 0.66 TDP1 (0.47) MAPTHTTALDH1A1GAA
SCHEMBL3477681 0.66 MAPT (0.65) MAPTHTTTP53ALDH1A1GAA
SCHEMBL8781083 0.65 ALDH1A1 (0.51) MAPTTP53ALDH1A1GAACA2

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-4480105-A PHOTOCROSSLINKING POLYMERS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
US-4363917-A SENSITIZERS FOR PHOTOCROSSLINKABLE POLYMERS; PHOTOPOLYMERIZATION INITIATORS CIBA-GEIGY CORPORATION (US) 1982-12-14 US disclosed