SCHEMBL11652347

SCHEMBL11652347

Cc1cc(OP(O)Oc2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 4/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL11652339 1.00 TSHR (0.50) TSHRALDH1A1LMNAMAPTRAB9A
SCHEMBL30382526 0.79 ALDH1A1 (0.57) TSHRALDH1A1LMNAMAPTRAB9A
SCHEMBL1897174 0.79 ALDH1A1 (0.57) TSHRALDH1A1LMNAMAPTRAB9A
SCHEMBL30970189 0.77 MAPT (0.52) TSHRALDH1A1LMNAMAPTRAB9A
SCHEMBL13807644 0.77 MAPT (0.49) TSHRALDH1A1LMNAMAPTRAB9A
SCHEMBL1429398 0.77 TSHR (0.54) TSHRALDH1A1LMNAMAPTRAB9A
SCHEMBL8746685 0.76 MAPT (0.62) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL10870559 0.76 MAPT (0.71) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL7111166 0.75 CA1 (0.56) TSHRALDH1A1LMNAMAPTRAB9A
SCHEMBL28474988 0.75 TSHR (0.53) TSHRALDH1A1LMNAMAPTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4120689-A POSTEMERGENT MONSANTO COMPANY (US) 1978-10-17 — — US disclosed
US-4083898-A Process for preparing O-aryl, N-phosphonomethylglycinonitriles MONSANTO COMPANY (US) 1978-04-11 — — US disclosed
US-4067719-A O-Aryl N-phosphonomethylglycinonitriles and the herbicidal use thereof MONSANTO COMPANY (US) 1978-01-10 — — US disclosed
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