SCHEMBL11234147

SCHEMBL11234147

O/N=C(\c1ccccc1)n1cccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.40
PDE4B Q07343 2/20 0.39
NOS1 P29475 3/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
FBP1 P09467 1/20 0.37
MAPT P10636 2/20 0.36
TYMP P19971 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.34

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
SCHEMBL11234150 1.00 ELANE (0.40) ELANEPDE4BNOS1F2PLAU
SCHEMBL11233969 0.76 CYP19A1 (0.39) TYMP
SCHEMBL11233965 0.76 CYP19A1 (0.39) TYMP
SCHEMBL9350733 0.73 NOS1 (0.50) ELANEPDE4BNOS1F2PLAU
SCHEMBL28938168 0.73 ELANE (0.42) ELANEPDE4BNOS1F2PLAU
SCHEMBL135362 0.73 ELANE (0.60) ELANEPDE4BF2PLAUKLKB1
SCHEMBL11232470 0.73 ALDH1A1 (0.50) PDE4BTYMPALDH1A1
SCHEMBL11232464 0.73 ALDH1A1 (0.50) PDE4BTYMPALDH1A1
SCHEMBL11237336 0.71 SMN1; SMN2 (0.44) MAPTTYMPALDH1A1TSHR
SCHEMBL11237337 0.71 SMN1; SMN2 (0.44) MAPTTYMPALDH1A1TSHR

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
US-4359469-A Combating pests with N-sulphenylated oxime-carbamates BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed