SCHEMBL7148168

SCHEMBL7148168

C=CCc1cc([N+](=O)[O-])ccc1P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CA12 O43570 4/20 0.39
▸ MMP2 P08253 4/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA1 P00915 3/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ TGM2 P21980 1/20 0.39

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
SCHEMBL30076618 0.81 POLB (0.49) POLBTDP1MEN1KMT2AALDH1A1
SCHEMBL4980531 0.80 POLB (0.61) POLBTDP1MEN1KMT2AALDH1A1
SCHEMBL9683795 0.78 TDP1 (0.50) POLBTDP1MEN1KMT2AKDM4E
SCHEMBL17769822 0.77 ALDH1A1 (0.55) POLBTDP1MEN1KMT2AALDH1A1
SCHEMBL3161586 0.76 GPR35 (0.51) POLBTDP1MEN1KMT2AALDH1A1
SCHEMBL7080073 0.76 PTPRC (0.41) POLBTDP1MEN1KMT2AKDM4E
SCHEMBL2552755 0.76 ALDH1A1 (0.55) POLBTDP1KMT2AALDH1A1LMNA
SCHEMBL27401907 0.76 HSD17B10 (0.55) TDP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4301056 0.75 MEN1 (0.45) POLBTDP1MEN1KMT2AALDH1A1
SCHEMBL11097917 0.75 TSHR (0.44) POLBTDP1MEN1KMT2AALDH1A1

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-20030219467-A1 Method for the inhibition of methanogensis THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2003-11-27 — — US disclosed
WO-2003038109-A2 METHOD FOR THE INHIBITION OF METHANOGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2003-05-08 — — WO disclosed
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