SCHEMBL9840984

SCHEMBL9840984

C=C1N(C)c2nc(C)ccc2C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CCR1 P32246 1/20 0.30
RAB9A P51151 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL18850851 0.79 MARK3 (0.36)
SCHEMBL9840977 0.78 HTR2A (0.34)
SCHEMBL9505759 0.71 LMNA (0.35) MPITDP1
SCHEMBL4602685 0.67 TDP1 (0.45) MPITDP1
SCHEMBL5464264 0.62 MPI (0.56) MPITDP1
SCHEMBL4603835 0.62 KMT2A (0.53) MPITDP1
SCHEMBL918366 0.62 HTT (0.51) MPITDP1RAB9A
SCHEMBL8397425 0.62 HTT (0.51) MPITDP1RAB9A
SCHEMBL9840924 0.61 MPI (0.37) MPITDP1
SCHEMBL4602213 0.61 TDP1 (0.43) MPITDP1

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-4986934-A SPIROBENZOXAZINE PYRROLOPYRIDINE COMPOUNDS, EYEGLASSES PPG INDUSTRIES, INC. (US) 1991-01-22 US disclosed