SCHEMBL4747010

SCHEMBL4747010

NC(=NO)C1(c2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAP4K4 O95819 1/20 0.43
LMNA P02545 2/20 0.38
HDAC4 P56524 1/20 0.37
P2RX7 Q99572 4/20 0.36
HSD11B1 P28845 6/20 0.36
POLB P06746 2/20 0.35
DRD2 P14416 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 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
SCHEMBL8151416 1.00 ALDH1A1 (0.44) ALDH1A1MAP4K4LMNAHDAC4P2RX7
SCHEMBL17115021 0.88 HSD11B1 (0.45) ALDH1A1LMNAHDAC4HSD11B1DRD2
SCHEMBL23578120 0.85 HSD11B1 (0.47) ALDH1A1MAP4K4LMNAHDAC4HSD11B1
SCHEMBL8159437 0.85 HSD11B1 (0.47) ALDH1A1MAP4K4LMNAHDAC4HSD11B1
SCHEMBL881576 0.81 MAP4K4 (0.37) MAP4K4P2RX7ALOX5
SCHEMBL2701341 0.80 ALDH1A1 (0.54) ALDH1A1MAP4K4LMNAHDAC4P2RX7
SCHEMBL8142155 0.77 ALDH1A1 (0.42) ALDH1A1MAP4K4LMNAHDAC4P2RX7
SCHEMBL10240705 0.76 MAP4K4 (0.45) MAP4K4ALOX5
SCHEMBL1625869 0.75 MAP4K4 (0.61) ALDH1A1MAP4K4LMNAHDAC4P2RX7
SCHEMBL15349038 0.74 ALDH1A1 (0.48) ALDH1A1MAP4K4LMNAHDAC4P2RX7

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-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO disclosed