SCHEMBL27601944

SCHEMBL27601944

COc1cn2c(n1)sc1cc(F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
TP53 P04637 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PARP15 Q460N3 2/20 0.45
PARP10 Q53GL7 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
PARP2 Q9UGN5 2/20 0.45
APP P05067 1/20 0.44
RXFP1 Q9HBX9 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
PARP14 Q460N5 1/20 0.38
THRB P10828 1/20 0.38

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
Hydrochloric Acid SCHEMBL10464592 0.82 MAPT (0.47) MAPTTP53SMN1; SMN2LMNATSHR
SCHEMBL13394268 0.79 TP53 (0.70) MAPTTP53SMN1; SMN2LMNATSHR
SCHEMBL31732235 0.79 LMNA (0.49) MAPTTP53SMN1; SMN2LMNATSHR
SCHEMBL3592857 0.74 MAPT (0.42) MAPTTP53SMN1; SMN2PARP15PARP10
SCHEMBL3591179 0.74 MAPT (0.44) MAPTTP53SMN1; SMN2LMNATSHR
SCHEMBL17621008 0.74 THRB (0.44) MAPTTP53SMN1; SMN2THRB
SCHEMBL27706618 0.74 MAPT (0.42) MAPTTP53SMN1; SMN2LMNATSHR
SCHEMBL13394267 0.74 MAPT (0.78) MAPTTP53SMN1; SMN2LMNATSHR
SCHEMBL3588711 0.73 MAPT (0.52) MAPTTP53SMN1; SMN2LMNARAB9A
SCHEMBL17129983 0.72 MAPT (0.69) MAPTTP53SMN1; SMN2LMNATSHR

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-100506825-C Heterotricyclyl 6-alkylidene-penems as beta epsilontaualpha-lactamase inhibitors WYETH CORP (US) 2009-07-01 CN disclosed
CN-1649882-A Heterotricyclyl 6-alkylidene-penems as beta epsilontaualpha-lactamase inhibitors WYETH CORP (US) 2005-08-03 CN disclosed