SCHEMBL9566974

SCHEMBL9566974

Nc1ccc(NCC=CO)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
POLB P06746 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.45
EGFR P00533 1/20 0.41
ADRB2 P07550 1/20 0.40
PKM P14618 1/20 0.39
HTR6 P50406 1/20 0.38

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
SCHEMBL8669914 0.84 HCAR3 (0.50) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL4227750 0.79 ALDH1A1 (0.56) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL28952779 0.79 MAPT (0.50) MAPTALDH1A1GAAHPGDHTT
SCHEMBL111190 0.79 MAPT (0.50) MAPTALDH1A1GAAHPGDHTT
SCHEMBL10385970 0.78 MAPT (0.59) MAPTALDH1A1GAAHPGDHTT
SCHEMBL6269072 0.78 MAPT (0.58) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2470791 0.77 HTR6 (0.59) MAPTALDH1A1GAAHPGDHTT
SCHEMBL6151067 0.76 MAPT (0.50) MAPTALDH1A1GAAHPGDHTT
SCHEMBL20129837 0.75 HTR6 (0.60) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6151375 0.75 MAPT (0.49) MAPTALDH1A1GAAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547414-A2 Process for the preparation of N-substituted nitro-p-phenylenediamines HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-23 EP disclosed