SCHEMBL28375290

SCHEMBL28375290

O=C(O)c1ccc(-c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 9/20 0.83
MAPT P10636 4/20 0.58
RXFP1 Q9HBX9 1/20 0.57
POLB P06746 1/20 0.56
DRD2 P14416 3/20 0.56
DRD3 P35462 2/20 0.56
TBXA2R P21731 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
RECQL P46063 1/20 0.55
TP53 P04637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
PDE6D O43924 1/20 0.53

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
SCHEMBL28372577 0.91 PIN1 (1.00) PIN1DRD2DRD3SMN1; SMN2HTT
SCHEMBL28375287 0.90 PIN1 (0.83) PIN1MAPTDRD2DRD3SMN1; SMN2
SCHEMBL28371162 0.89 PIN1 (0.81) PIN1DRD2DRD3HTTTP53
SCHEMBL28375083 0.88 PIN1 (1.00) PIN1MAPTDRD2DRD3SMN1; SMN2
SCHEMBL28377322 0.88 PIN1 (0.65) PIN1MAPTRXFP1POLBDRD2
SCHEMBL28376525 0.87 PIN1 (1.00) PIN1DRD2DRD3
SCHEMBL28376185 0.84 PIN1 (0.83) PIN1DRD2TBXA2RTP53ALDH1A1
SCHEMBL28376557 0.78 PIN1 (0.83) PIN1DRD2TBXA2R
SCHEMBL10738559 0.78 PIN1 (0.67) PIN1DRD2DRD3SMN1; SMN2HTT
SCHEMBL20715562 0.78 PIN1 (0.67) PIN1MAPTPOLBDRD2DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905241-B 1, 2-disubstituted benzimidazole derivative and application thereof 沈阳药科大学 2020-03-17 CN claimed
CN-106905241-B 1, 2-disubstituted benzimidazole derivative and application thereof 沈阳药科大学 2020-03-17 CN disclosed