SCHEMBL9367333

SCHEMBL9367333

NC(=O)c1ncn(Cc2ccccc2)c1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
POLB P06746 1/20 0.46
PKM P14618 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MITF O75030 1/20 0.45
EPHX1 P07099 3/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9368918 0.88 ALDH1A1 (0.47) ALDH1A1PKMNPC1RAB9ANPSR1
SCHEMBL9363575 0.87 PKM (0.51) ALDH1A1POLBPKMGAATSHR
SCHEMBL9368889 0.86 ALDH1A1 (0.46) ALDH1A1POLBPKMNPC1RAB9A
SCHEMBL9363777 0.81 NPC1 (0.49) ALDH1A1PKMNPC1RAB9ANPSR1
SCHEMBL9183520 0.77 ACHE (0.41) ALDH1A1POLBPKMNPC1RAB9A
SCHEMBL7975241 0.72 GAA (0.50) POLBPKMNPC1RAB9AGAA
SCHEMBL11551662 0.71 PKM (0.59) ALDH1A1PKMGAATSHR
SCHEMBL9367365 0.71 PKM (0.59) ALDH1A1PKMGAATSHRLMNA
SCHEMBL10364285 0.70 NPC1 (0.36) ALDH1A1PKMNPC1RAB9ANPSR1
SCHEMBL10364282 0.70 NPC1 (0.36) ALDH1A1PKMNPC1RAB9ANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464112-B1 A PROCESS FOR THE PREPARATION OF 9-SUBSTITUTED GUANINE DERIVATIVES AND INTERMEDIATES FOR USE IN THE PROCESS GEA FARMACEUTISK FABRIK AS (DK) 1994-10-05 EP disclosed
US-5223619-A Catalytic cyclization A/S GEA FARMACEUTISK FABRIK (DK) 1993-06-29 US disclosed
EP-0464112-A1 A PROCESS FOR THE PREPARATION OF 9-SUBSTITUTED GUANINE DERIVATIVES AND INTERMEDIATES FOR USE IN THE PROCESS. GEA FARMACEUTISK FABRIK AS (DK) 1992-01-08 EP disclosed
WO-1990011283-A1 A PROCESS FOR THE PREPARATION OF 9-SUBSTITUTED GUANINE DERIVATIVES AND INTERMEDIATES FOR USE IN THE PROCESS A/S GEA FARMACEUTISK FABRIK (DK) 1990-10-04 WO disclosed