SCHEMBL11075652

SCHEMBL11075652

CSc1nc(C)n(-c2ccc(N)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PDE4D Q08499 1/20 0.35
TERT O14746 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL24610231 0.82 FCGR1A (0.43) PTGS2SMN1; SMN2L3MBTL1NPC1MAPT
Bromide SCHEMBL11375292 0.81 SMN1; SMN2 (0.43) PTGS2SMN1; SMN2L3MBTL1NPC1MAPT
SCHEMBL11064575 0.79 PTGS2 (0.38) PTGS2SMN1; SMN2L3MBTL1NPC1MAPT
Hydrochloric Acid SCHEMBL11377631 0.79 PTGS1 (0.48) PTGS2SMN1; SMN2L3MBTL1NPC1MAPT
SCHEMBL3758184 0.78 NPC1 (0.44) SMN1; SMN2L3MBTL1NPC1MAPTRAB9A
SCHEMBL11065466 0.76 TDP1 (0.60) SMN1; SMN2L3MBTL1NPC1MAPTRAB9A
SCHEMBL11064132 0.75 MAPT (0.44) PTGS2SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL3559160 0.70 MAPT (0.50) SMN1; SMN2L3MBTL1NPC1MAPTRAB9A
SCHEMBL1825048 0.70 TDP1 (0.65) SMN1; SMN2L3MBTL1NPC1MAPTRAB9A
SCHEMBL1823842 0.67 LMNA (0.67) L3MBTL1MAPTLMNAPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4490530-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 US disclosed
EP-0006711-B1 HETEROCYCLIC DERIVATIVES OF (4-PHENYLPIPERAZIN-1-YL-ARYLOXYMETHYL-1,3-DIOXOLAN-2-YL)-METHYL-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-10-26 EP disclosed
US-4368200-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-11 US disclosed
US-4267179-A AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-05-12 US disclosed
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP disclosed