SCHEMBL3839624

SCHEMBL3839624

Oc1ccc(-c2c[c]c3c(c2OCc2ccccc2)CCCC3)c2c1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAOB P27338 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3841409 0.80 RXRB (0.41) CYP2C19MAPTTDP1BRD4RXRA
SCHEMBL3841406 0.72 RXRB (0.41) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3592575 0.67 RXRB (0.43) LMNAMAPTTDP1MAOBMAPK1
SCHEMBL27488692 0.61 HTR1A (0.61) LMNAHPGDCYP1A2PTGS1SLC6A2
SCHEMBL8884404 0.60 RXRB (0.47) MAOBDHODHKDM4EMEN1ALDH1A1
SCHEMBL11603138 0.60 BCL2L1 (0.66) CYP1A2KDM4ERXRARXRBRXRG
SCHEMBL10597121 0.60 LMNA (0.65) LMNAHPGDCYP1A2PTGS1SLC6A2
SCHEMBL1952637 0.59 HTR1A (0.51) LMNAHPGDCYP1A2PTGS1SLC6A2
SCHEMBL10414960 0.59 LMNA (0.53) LMNAHPGDCYP1A2PTGS1SLC6A2
SCHEMBL3278335 0.59 TSHR (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19

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
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed