SCHEMBL9538372

SCHEMBL9538372

CC(=O)Nc1ccc(N(c2ccccc2)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.67
HSD17B10 Q99714 1/20 0.67
HTT P42858 3/20 0.65
KMT2A Q03164 4/20 0.63
MAPT P10636 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
POLB P06746 2/20 0.63
TAAR1 Q96RJ0 1/20 0.63
HPGD P15428 1/20 0.62
TSHR P16473 2/20 0.59
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
GAA P10253 2/20 0.59
MEN1 O00255 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
NOX1 Q9Y5S8 1/20 0.54
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL9480822 1.00 NAPRT (0.67) NAPRTHSD17B10HTTKMT2AMAPT
SCHEMBL14571067 0.95 HTT (0.66) NAPRTHSD17B10HTTKMT2AMAPT
SCHEMBL1275196 0.92 SMN1; SMN2 (0.64) NAPRTHSD17B10HTTKMT2AMAPT
SCHEMBL3526239 0.90 RAB9A (0.60) NAPRTHSD17B10HTTKMT2AMAPT
SCHEMBL3526240 0.90 RAB9A (0.60) NAPRTHSD17B10HTTKMT2AMAPT
SCHEMBL9479934 0.86 HSD17B10 (0.58) NAPRTHSD17B10HTTKMT2AMAPT
SCHEMBL28566418 0.84 KMT2A (0.53) NAPRTHSD17B10HTTKMT2AMAPT
SCHEMBL20838000 0.83 PKM (0.62) NAPRTHSD17B10HTTKMT2AMAPT
SCHEMBL5133117 0.82 RXFP1 (0.54) NAPRTHSD17B10HTTKMT2AMAPT
SCHEMBL19669626 0.81 NAPRT (1.00) NAPRTHSD17B10HTTKMT2AMAPT

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
JP-5032597-A None JP disclosed
JP-H0532597-A DIAMINORTIPHENYLAMINE DERIVATIVE MITSUBISHI KASEI CORP 1993-02-09 JP disclosed