SCHEMBL11037844

SCHEMBL11037844

Nc1ccc(O[PH](=O)Oc2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL866003 0.82 ALDH1A1 (0.62) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL29776250 0.82 ALDH1A1 (0.62) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL28356761 0.79 ALDH1A1 (0.53) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL8755086 0.79 MAPT (0.49) MAPTALDH1A1TDP1TSHRLMNA
SCHEMBL176879 0.79 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL204041 0.79 ALDH1A1 (0.61) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL8606960 0.79 MAPT (0.58) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL27774544 0.79 ALDH1A1 (0.61) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL5090260 0.77 NR4A1 (0.61) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL11420051 0.77 MAPT (0.62) MAPTALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4230618-A CELLULOSE ICI UNITED STATES, INC. (US) 1980-10-28 US claimed
US-4472308-A Azo dyestuffs containing an amino or acylated amino naphthol monosulfonic acid radical and at least one reactive phosphoric or phosphonic acid group ICI UNITED STATES, INC. (US) 1984-09-18 US disclosed
US-4230618-A CELLULOSE ICI UNITED STATES, INC. (US) 1980-10-28 US disclosed
US-4225491-A REACTIVE DYES FOR COTTON ICI UNITED STATES, INC. (US) 1980-09-30 US disclosed