SCHEMBL11271280

SCHEMBL11271280

COc1ccc2c(c1)C(C#N)c1ccccc1CO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALOX12 P18054 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HTR2A P28223 4/20 0.41
DRD1 P21728 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
HTR1A P08908 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL7522168 0.82 MAPT (0.38) MAPTALDH1A1GAAHTR2AKMT2A
SCHEMBL8800043 0.82 DRD2 (0.36) MAPTALDH1A1GAAHPGDTDP1
SCHEMBL11275290 0.81 ALDH1A1 (0.51) MAPTALDH1A1GAAHPGDTDP1
SCHEMBL7511213 0.81 ALDH1A1 (0.51) MAPTALDH1A1GAAHPGDTDP1
SCHEMBL7526416 0.80 HTR2A (0.40) NPC1RAB9ASMN1; SMN2HTR2AKMT2A
SCHEMBL11278667 0.80 MAOB (0.42) MAPTDRD2DRD3HTR2ADRD1
SCHEMBL7520603 0.80 DRD2 (0.39) DRD2DRD3HTR2ADRD1TBXA2R
SCHEMBL7526493 0.80 DRD2 (0.39) DRD2DRD3
SCHEMBL8797546 0.79 HTR7 (0.36) MAPTALDH1A1TDP1KDM4ENPC1
SCHEMBL8797797 0.78 IMPDH2 (0.36) MAPTALDH1A1HPGDSMN1; SMN2HTR2A

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-4335122-A DIURETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-15 US disclosed