5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb]

5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb]

SCHEMBL7821604

O=C(O)c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1.O=C(O)c1ccncc1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.82
CDK2 P24941 5/20 0.82
KMT2A Q03164 4/20 0.82
MEN1 O00255 3/20 0.82
NPC1 O15118 2/20 0.82
ALDH1A1 P00352 2/20 0.82
TRPA1 O75762 1/20 0.82
LMNA P02545 1/20 0.82
CYP1A2 P05177 1/20 0.82
CYP2C9 P11712 1/20 0.82
TSHR P16473 1/20 0.82
MAPK1 P28482 1/20 0.82
THPO P40225 1/20 0.82
BLM P54132 1/20 0.82
PMP22 Q01453 1/20 0.82
HSD17B10 Q99714 1/20 0.82
HDAC6 Q9UBN7 1/20 0.82
GAA P10253 1/20 0.60
PKM P14618 1/20 0.59
KDM6B O15054 2/20 0.55

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
5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb] SCHEMBL159244 0.90 MAPT (1.00) MAPTCDK2KMT2AMEN1NPC1
5-Nitro-2-Phenylpropylaminobenzoic Acid [Nppb] SCHEMBL29375101 0.90 MAPT (1.00) MAPTCDK2KMT2AMEN1NPC1
SCHEMBL7821609 0.87 MAPT (0.67) MAPTCDK2KMT2AMEN1NPC1
SCHEMBL4217741 0.87 MAPT (0.93) MAPTCDK2KMT2AMEN1NPC1
SCHEMBL3029764 0.83 MAPT (1.00) MAPTCDK2KMT2AMEN1NPC1
SCHEMBL6374917 0.81 MAPT (0.82) MAPTCDK2KMT2AMEN1NPC1
SCHEMBL14280729 0.78 CDK2 (0.77) MAPTCDK2KMT2AMEN1NPC1
SCHEMBL4212246 0.76 MAPT (1.00) MAPTCDK2KMT2AMEN1NPC1
SCHEMBL3843127 0.74 KMT2A (0.71) MAPTCDK2KMT2AMEN1NPC1
SCHEMBL27577353 0.74 MAPT (0.69) MAPTCDK2KMT2AMEN1NPC1

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed