SCHEMBL8604688

SCHEMBL8604688

N=C(N)NCCc1ccc(OCCC2Oc3cc(F)ccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.40
ADK P55263 3/20 0.40
TP53 P04637 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR7 P34969 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KLKB1 P03952 1/20 0.34
LMNA P02545 1/20 0.34
XIAP P98170 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
SCHEMBL8603405 0.92 TSHR (0.42) GSK3BADKTP53MEN1KMT2A
SCHEMBL7465815 0.91 TSHR (0.40) TP53MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL7469178 0.90 LMNA (0.42) TP53KMT2AMAPTALDH1A1TSHR
SCHEMBL8551402 0.89 MEN1 (0.39) TP53MEN1KMT2AMAPTALDH1A1
SCHEMBL8553976 0.89 KMT2A (0.48) GSK3BADKTP53MEN1KMT2A
Hydrochloric Acid SCHEMBL8602861 0.89 MEN1 (0.39) TP53MEN1KMT2AMAPTALDH1A1
SCHEMBL8554377 0.88 LMNA (0.37) TP53KMT2AMAPTALDH1A1TSHR
SCHEMBL8558097 0.87 KMT2A (0.37) TP53MEN1KMT2AMAPTTSHR
SCHEMBL8551162 0.87 TSHR (0.39) GSK3BADKTP53MEN1KMT2A
SCHEMBL8555228 0.87 LMNA (0.37) TP53MEN1KMT2AMAPTTSHR

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-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed