SCHEMBL10475280

SCHEMBL10475280

CCOC(=O)c1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.56
MAPK8 P45983 15/20 0.56
PIM1 P11309 1/20 0.56
IRAK1 P51617 1/20 0.56
CAMK2B Q13554 1/20 0.56
CAMK2G Q13555 1/20 0.56
CAMK2D Q13557 1/20 0.56
PIM3 Q86V86 1/20 0.56
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49

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
SCHEMBL10474593 0.89 KCNH2 (0.56) P2RX3MAPK8PIM1IRAK1CAMK2B
SCHEMBL7128069 0.86 PIM1 (0.56) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL5101006 0.86 NR4A2 (0.59) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL31513796 0.84 NPC1 (0.60) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL27968930 0.83 P2RX3 (0.75) P2RX3ALDH1A1LMNAMAPT
SCHEMBL10475559 0.83 MAPK8 (0.58) MAPK8
SCHEMBL10472497 0.83 KMT2A (0.59) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL30417213 0.83 KMT2A (0.59) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL6050613 0.82 BAZ2B (0.54) P2RX3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL30906936 0.81 LMNA (0.63) P2RX3ALDH1A1LMNAMAPT

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-4959363-A HERPES VIRUS STERLING DRUG INC. (US) 1990-09-25 US disclosed