SCHEMBL10709396

SCHEMBL10709396

CCCCc1ccnc([N])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2993441 0.80 SKP2 (0.44) SKP2NPC1RAB9AHPGDNPSR1
SCHEMBL6560564 0.80 KDM4E (0.44) SKP2NPC1RAB9AHPGDNPSR1
SCHEMBL1146845 0.78 SKP2 (0.43) SKP2NPC1RAB9AHPGDNPSR1
SCHEMBL9402852 0.78 SKP2 (0.47) SKP2NPC1RAB9AHPGDNPSR1
SCHEMBL2619307 0.78 CYP1A2 (0.44) SKP2NPC1RAB9AHPGDNPSR1
Bromide SCHEMBL5762760 0.77 SKP2 (0.46) SKP2NPC1RAB9AHPGDNPSR1
SCHEMBL6938337 0.77 NOS2 (0.66) SKP2NPC1RAB9AHPGDNPSR1
SCHEMBL8766286 0.77 SKP2 (0.42) SKP2NPC1RAB9AHPGDNPSR1
SCHEMBL12893452 0.77 LOXL2 (0.55) SKP2NPC1RAB9AHPGDNPSR1
SCHEMBL3129833 0.77 SKP2 (0.46) SKP2NPC1RAB9AHPGDNPSR1

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
EP-0157657-B1 PEROXYDIC METAL COMPLEXES, THEIR PREPARATION AND USE IN HYDROCARBON OXIDATION REACTIONS TO ALCOHOLS AND/OR KETONES Institut Français du Pétrole (FR) 1988-09-14 EP disclosed