SCHEMBL9069782

SCHEMBL9069782

CCN(C(=O)Oc1ccccn1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TSHR P16473 2/20 0.47
TRPM8 Q7Z2W7 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL18378463 0.83 TSHR (0.48) POLBTSHRTRPM8SMN1; SMN2GAA
SCHEMBL28343287 0.82 GAA (0.49) POLBTSHRTRPM8SMN1; SMN2GAA
SCHEMBL18186741 0.82 POLB (0.47) POLBTSHRTRPM8SMN1; SMN2GAA
SCHEMBL10697750 0.81 MEN1 (0.53) TSHRTRPM8SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7448120 0.80 SMN1; SMN2 (0.53) POLBTSHRTRPM8SMN1; SMN2GAA
SCHEMBL1694615 0.80 LMNA (0.42) POLBTSHRTRPM8SMN1; SMN2GAA
SCHEMBL5508940 0.79 POLB (0.60) POLBTSHRTRPM8SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL29361741 0.78 RAB9A (0.47) TSHRGAAKMT2ALMNA
SCHEMBL2562392 0.78 POLB (0.51) POLBTSHRTRPM8SMN1; SMN2GAA
SCHEMBL27600746 0.77 TSHR (0.43) POLBTSHRSMN1; SMN2MEN1KMT2A

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
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 EP disclosed