SCHEMBL7615355

SCHEMBL7615355

COc1cc(Cc2n[c]c[nH]2)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.37
ALDH1A1 P00352 2/20 0.37
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
NOS1 P29475 1/20 0.36
DHFR P00374 1/20 0.35
CYP19A1 P11511 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DAO P14920 1/20 0.33
AKR1B1 P15121 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL7621725 0.83 LTA4H (0.46) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5252553 0.71 ALDH1A1 (0.65) CALM1ALDH1A1CYP19A1TSHRMAPK1
SCHEMBL2094695 0.70 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL405100 0.69 TAAR1 (0.48) CALM1TSHRMEN1KMT2ADAO
SCHEMBL7620401 0.66 TAAR1 (0.44) MAPK1DAOCHRM2
SCHEMBL681502 0.64 ALDH1A1 (0.53) CALM1ALDH1A1NOS1CYP19A1TSHR
SCHEMBL19352719 0.63 CALM1 (0.56) CALM1ALDH1A1CYP19A1MAPK1AKR1B1
SCHEMBL27657180 0.63 FGFR1 (0.55) CALM1FGFR1KDRNOS1MAPK1
SCHEMBL5982458 0.62 LPO (0.36) ALDH1A1CYP19A1TSHRMAPK1MEN1
SCHEMBL18557216 0.62 ALDH1A1 (0.44) CALM1ALDH1A1CYP19A1TSHRDAO

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-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed