SCHEMBL6509007

SCHEMBL6509007

Nc1cnc(Oc2ccc(Cl)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.57
▸ MAOA P21397 1/20 0.57
▸ MAOB P27338 1/20 0.57
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SCN9A Q15858 6/20 0.54
▸ APAF1 O14727 1/20 0.52
▸ LTA4H P09960 3/20 0.51
▸ KCNH2 Q12809 2/20 0.45
▸ SCN5A Q14524 2/20 0.45
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL11065223 0.84 MEN1 (0.62) NPSR1MAOAMAOBMEN1KMT2A
SCHEMBL22534745 0.80 MEN1 (0.62) MAOBMEN1KMT2AGAARAB9A
SCHEMBL22404982 0.80 NPSR1 (0.57) NPSR1MAOAMAOBMEN1KMT2A
SCHEMBL16528704 0.80 MAPT (0.57) NPSR1MAOAMEN1KMT2ASMN1; SMN2
SCHEMBL18956822 0.79 MEN1 (0.55) MAOAMAOBMEN1KMT2ASMN1; SMN2
SCHEMBL18742179 0.78 SCN9A (0.57) NPSR1MAOAMAOBMEN1KMT2A
SCHEMBL17360510 0.78 NTRK1 (0.55) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4059342 0.77 KDM4E (0.69) MAOAMAOBMEN1KMT2ARAB9A
SCHEMBL27267264 0.77 MEN1 (0.63) NPSR1MAOAMAOBMEN1KMT2A
SCHEMBL21902996 0.76 SMN1; SMN2 (0.56) NPSR1MAOAMAOBMEN1KMT2A

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-2005037839-A1 NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF ENTOMED (FR) 2005-04-28 — — WO disclosed
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