SCHEMBL27452003

SCHEMBL27452003

O=C(c1cc(Cl)ccc1[N+](=O)[O-])c1nn[nH]c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
DTYMK P23919 1/20 0.38
MAPT P10636 4/20 0.37
EIF4E P06730 1/20 0.37
KCNMA1 Q12791 1/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL27371673 0.90 HPGD (0.44) ALDH1A1SMN1; SMN2POLBKCNMA1
SCHEMBL7863170 0.83 KCNMA1 (0.46) ALDH1A1KMT2APKMMAPK1MEN1
SCHEMBL27373824 0.82 RECQL (0.48) ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL7869833 0.82 NPC1 (0.46) ALDH1A1KMT2AGAATSHRMEN1
SCHEMBL27371672 0.77 ABL1 (0.42) ALDH1A1GAATSHRSMN1; SMN2POLB
SCHEMBL2616484 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AGAAPKMTSHR
SCHEMBL343076 0.76 ALDH1A1 (0.49) ALDH1A1KMT2AGAAPKMTSHR
SCHEMBL27397510 0.76 TDP1 (0.42) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL79163 0.75 DTYMK (0.62) ALDH1A1KMT2AGAAPKMTSHR
SCHEMBL9686296 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AGAAPKMTSHR

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
CN-1084747-C Pyrrolobenzazepine * derivatives as neuroactive agents ZENECA LTD (GB) 2002-05-15 CN disclosed
CN-1224424-A Azolobenzazepine derivs. as neurologically active agents ZENECA LTD (GB) 1999-07-28 CN disclosed