SCHEMBL9762691

SCHEMBL9762691

[NH]C(=O)N(N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
PARP1 P09874 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL23587923 0.81 NPSR1 (0.52) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL4103979 0.80 NPSR1 (0.56) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL10348556 0.80 NPSR1 (0.64) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL1386191 0.80 NPSR1 (0.64) NPSR1ALDH1A1KMT2APOLBNPC1
Hydrochloric Acid SCHEMBL27725174 0.78 NPSR1 (0.54) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL712279 0.78 NPSR1 (0.54) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL9769555 0.76 NPSR1 (0.52) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL11048011 0.76 NPSR1 (0.52) NPSR1ALDH1A1KMT2APOLBNPC1
Hydrochloric Acid SCHEMBL30821401 0.76 NPSR1 (0.52) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL10894659 0.76 NPSR1 (0.52) NPSR1ALDH1A1KMT2APOLBNPC1

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
US-5003052-A Monoazo fiber reactive dye for cellulose, polyamides, wool, silk, polyurethanes and leather CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
EP-0073481-B1 WATER-SOLUBLE AZO COMPOUNDS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-30 EP disclosed