SCHEMBL7936688

SCHEMBL7936688

Oc1nc(Cc2ccccc2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
FEN1 P39748 1/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BRD4 O60885 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CD74 P04233 1/20 0.38
MIF P14174 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
RNASEH1 O60930 1/20 0.37

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
SCHEMBL4743172 0.81 CALM1 (0.41) CALM1FEN1BRD4TAAR1ALDH1A1
SCHEMBL1723556 0.78 TAAR1 (0.48) CALM1TAAR1ALDH1A1HRH3GAA
SCHEMBL4081720 0.78 TAAR1 (0.41) CALM1FEN1BRD4TAAR1ALDH1A1
SCHEMBL82538 0.77 TAAR1 (0.43) CALM1BRD4TAAR1ALDH1A1HRH3
SCHEMBL6626882 0.77 CALM1 (0.41) CALM1BRD4TAAR1ALDH1A1HRH3
SCHEMBL4734293 0.77 CALM1 (0.41) CALM1BRD4TAAR1ALDH1A1HRH3
SCHEMBL16877215 0.77 CALM1 (0.41) CALM1BRD4TAAR1ALDH1A1HRH3
SCHEMBL13604219 0.77 LTB4R (0.49) CALM1TAAR1ALDH1A1HRH3MEN1
SCHEMBL949037 0.77 BRD4 (0.43) CALM1FEN1BRD4GAATSHR
SCHEMBL5801624 0.76 POLB (0.46) CALM1BRD4TAAR1ALDH1A1HRH3

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-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed