SCHEMBL12437404

SCHEMBL12437404

Bc1ccc(Oc2cc(C)nc(C)c2)c(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
EPAS1 Q99814 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TTR P02766 1/20 0.31
DHODH Q02127 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
HPGD P15428 3/20 0.31
MAPT P10636 1/20 0.31
PRKDC P78527 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL276112 0.82 PTGDR2 (0.46) NPSR1LMNAGAAKMT2AALDH1A1
SCHEMBL276088 0.82 NPSR1 (0.45) NPSR1LMNAGAAKMT2AALDH1A1
SCHEMBL12801867 0.73 ALDH1A1 (0.55) LMNAALDH1A1CYP1A2KDM4ETSHR
SCHEMBL13765280 0.72 LMNA (0.39) NPSR1LMNAGAAKMT2AALDH1A1
SCHEMBL12437417 0.72 L3MBTL1 (0.41) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL12323596 0.71 ERN1 (0.47) NPSR1LMNAKMT2AALDH1A1CYP1A2
SCHEMBL12438307 0.71 SMN1; SMN2 (0.33) NPSR1LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL12369334 0.69 MAPT (0.41) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL12437210 0.68 PPARA (0.38) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL13761094 0.68 F10 (0.43) NPSR1ALDH1A1SMN1; SMN2TSHRTDP1

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-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed