SCHEMBL11072034

SCHEMBL11072034

CCCCCCCCCCSc1cc([N+](=O)[O-])cc(C(=O)NC)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
PLK1 P53350 5/20 0.36
MAPT P10636 1/20 0.36
NSD2 O96028 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM3B Q7LBC6 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
MGLL Q99685 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
SCHEMBL11071900 0.95 MAPT (0.38) ALDH1A1MAPTLMNATP53HTT
SCHEMBL11063934 0.86 MAPT (0.41) ALDH1A1MAPTLMNATP53HTT
SCHEMBL11069902 0.75 PLK1 (0.41) PLK1CYSLTR2CYSLTR1PTGS2
SCHEMBL11063854 0.73 CA1 (0.58) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL11075437 0.70 MAPT (0.42) MAPTLMNATP53
SCHEMBL10727373 0.70 HTT (0.47) ALDH1A1MAPTLMNAHTT
SCHEMBL11438724 0.68 PLK1 (0.42) PLK1MAPTCYSLTR2CYSLTR1GPR84
SCHEMBL10727939 0.68 CA1 (0.49) MAPTLMNAHTTMGLL
SCHEMBL11309292 0.67 PLK1 (0.45) PLK1MAPTGPR84KDM6BKDM4A
SCHEMBL11571002 0.66 MAPT (0.60) ALDH1A1MAPTLMNANPSR1HTT

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