SCHEMBL9956411

SCHEMBL9956411

C#CCNC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
PTGIR P43119 3/20 0.43
KDM1A O60341 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALOX15 P16050 1/20 0.40
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
KDM5B Q9UGL1 1/20 0.39

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
SCHEMBL1400657 0.79 NPSR1 (0.50) NPSR1KMT2AMEN1ALDH1A1NPC1
SCHEMBL28992840 0.76 KMT2A (0.48) NPSR1KMT2AMEN1ALDH1A1NPC1
SCHEMBL12914594 0.76 NPSR1 (0.61) NPSR1KMT2AMEN1ALDH1A1NPC1
SCHEMBL7859849 0.76 NPSR1 (0.50) NPSR1KMT2AMEN1ALDH1A1NPC1
SCHEMBL29221819 0.74 HSP90AA1 (0.53) NPSR1KMT2AMEN1ALDH1A1TSHR
SCHEMBL31179985 0.74 NPSR1 (0.50) NPSR1KMT2AALDH1A1NPC1POLB
SCHEMBL10492069 0.74 HTT (0.54) NPSR1KMT2AALDH1A1NPC1POLB
SCHEMBL28611351 0.73 NPSR1 (0.47) NPSR1KMT2AMEN1ALDH1A1NPC1
SCHEMBL264029 0.72 NPSR1 (0.56) NPSR1KMT2AMEN1ALDH1A1NPC1
SCHEMBL27652283 0.72 NAAA (0.57) NPSR1ALDH1A1NPC1HTTRAB9A

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
WO-2012085501-A1 8 - SULFO - IMIDAZOTETRAZIN- 4 - ONE COMPOUNDS AND THEIR USE AS ANTICANCER DRUG PHARMINOX LIMITED (GB) 2012-06-28 WO disclosed