SCHEMBL28382129

SCHEMBL28382129

CC(=O)OC(C)(C)Cc1c(C)nn(Cc2ccc([N+](=O)[O-])cc2Cl)c1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGDR2 Q9Y5Y4 10/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.40
JAK2 O60674 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 3/20 0.39

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
SCHEMBL28887186 0.89 PTGDR2 (0.41) LMNAPTGDR2
SCHEMBL12466468 0.86 LMNA (0.48) LMNAMEN1KMT2APTGDR2P2RX7
SCHEMBL27938730 0.85 PTGDR2 (0.44) LMNAMEN1KMT2APTGDR2HTT
SCHEMBL27919901 0.83 LMNA (0.48) LMNAMEN1KMT2APTGDR2MAPT
SCHEMBL27938535 0.82 LMNA (0.54) LMNAMEN1KMT2APTGDR2HTT
SCHEMBL508780 0.80 LMNA (0.49) LMNAMEN1KMT2APTGDR2MAPT
SCHEMBL27938399 0.80 LMNA (0.56) LMNAMEN1KMT2APTGDR2MAPT
SCHEMBL27919902 0.79 LMNA (0.48) LMNAMEN1KMT2AMAPTHTT
SCHEMBL28382130 0.76 LMNA (0.48) LMNAMEN1KMT2AMAPTHTT
SCHEMBL12466137 0.74 PTGDR2 (0.45) PTGDR2

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
CN-107011332-B Pyrazole compounds as CRTH2 antagonists GB007公司 2020-03-13 CN disclosed