SCHEMBL11237247

SCHEMBL11237247

C=CCNc1ncnc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 1.00
RAB9A P51151 3/20 1.00
GAA P10253 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 2/20 1.00
MEN1 O00255 2/20 1.00
HTT P42858 7/20 0.66
LMNA P02545 6/20 0.66
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 2/20 0.66
HPGD P15428 1/20 0.66
MTOR P42345 1/20 0.66
NCOA1 Q15788 1/20 0.66
NCOA3 Q9Y6Q9 1/20 0.66
EGFR P00533 4/20 0.59
GALR3 O60755 2/20 0.59
NR2F2 P24468 2/20 0.59
MAPK1 P28482 3/20 0.58
TSHR P16473 2/20 0.58
ALPG P10696 1/20 0.57

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
SCHEMBL2879204 0.80 RAB9A (0.66) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL29496542 0.80 HTT (1.00) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL13283266 0.80 HTT (1.00) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL31197281 0.80 HTT (1.00) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL22097291 0.78 HTT (0.72) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL10061697 0.77 SMN1; SMN2 (0.67) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL9287754 0.77 SUMO3 (0.72) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL4980648 0.75 EGFR (0.62) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL7612718 0.75 EGFR (1.00) SMN1; SMN2RAB9AKMT2AMAPTHTT
SCHEMBL29898477 0.75 LMNA (0.75) SMN1; SMN2RAB9AGAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4331667-A TICK CONTROL IN SHEEP AND CATTLE SANDOZ LTD. (CH) 1982-05-25 US disclosed
US-4331667-A TICK CONTROL IN SHEEP AND CATTLE SANDOZ LTD. (CH) 1982-05-25 US disclosed