SCHEMBL8104285

SCHEMBL8104285

O=c1[nH]c(=O)n(C2(O)CC[C@@H](CO)O2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.38
ESR1 P03372 1/20 0.38
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIK5 Q16478 1/20 0.35
TSHR P16473 1/20 0.34
PMP22 Q01453 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2579340 0.83 TK1 (0.32) LMNACYP1A2TSHRPMP22
SCHEMBL16620134 0.78 LMNA (0.36) LMNASMN1; SMN2MAPTESR1KDM4E
SCHEMBL25438208 0.77 LMNA (0.43) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL8110184 0.77 LMNA (0.51) LMNASMN1; SMN2MAPTCYP1A2TSHR
SCHEMBL30841853 0.72 ALDH1A1 (0.41) LMNATSHRPMP22
SCHEMBL339966 0.72 ALDH1A1 (0.41) LMNATSHRPMP22
SCHEMBL4749295 0.72 PYGM (0.39) LMNASMN1; SMN2GRIA1GRIA2GRIA4
SCHEMBL28765909 0.71 LMNA (0.42) LMNATSHRPMP22
SCHEMBL2012504 0.71 ALDH1A1 (0.43) LMNATSHRPMP22
SCHEMBL8543017 0.71 LMNA (0.47) LMNASMN1; SMN2MAPTESR1TSHR

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-6040297-A A THERAPEUTIC AGENTS TREATING TUMORS AND RETROVIRAL INFECTIONS INCLUDING HIV INFECTIONS BIOSEARCH ITALIA, S.P.A. (IT) 2000-03-21 US disclosed