SCHEMBL8826218

SCHEMBL8826218

OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)C[C@@H]1F

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ GLA P06280 1/20 0.64
▸ PMP22 Q01453 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ NPY1R P25929 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ NPY2R P49146 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ SLC29A1 Q99808 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ THPO P40225 1/20 0.64
▸ ADK P55263 1/20 0.55

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
SCHEMBL7990561 0.89 LMNA (0.68) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL8826256 0.86 ADORA3 (0.66) SMN1; SMN2NPC1RAB9ASLC29A1TSHR
SCHEMBL8826282 0.85 CYP1A2 (0.47) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL8826176 0.84 ADORA3 (0.57) SLC29A1
SCHEMBL9360359 0.84 ADORA3 (0.57) SLC29A1
SCHEMBL8939236 0.82 TSHR (0.59) PMP22SMN1; SMN2HTTSLC29A1RXFP1
SCHEMBL8826179 0.81 SLC29A1 (0.56) SLC29A1TSHRNFKB1THPO
SCHEMBL8826350 0.81 SLC29A1 (0.51) SLC29A1
SCHEMBL5199003 0.80 HIF1A (0.56) —
SCHEMBL5198998 0.80 HIF1A (0.56) —

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
US-5663154-A VIRICIDES, HIV, HEPATITIS GLAXO WELLCOME INC. (US) 1997-09-02 — — US disclosed
WO-1993014103-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-22 — — WO disclosed
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