SCHEMBL8573305

SCHEMBL8573305

Cc1c(N2C[C@@H](C)N[C@@H](C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNH2 Q12809 7/20 0.43
POLB P06746 2/20 0.43
CACNA1F O60840 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
PMP22 Q01453 1/20 0.36
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36

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
SCHEMBL8893562 1.00 MEN1 (0.46) MEN1KMT2AKCNH2POLBCACNA1F
Hydrochloric Acid SCHEMBL8893843 0.99 MEN1 (0.46) MEN1KMT2AKCNH2POLBCACNA1F
Hydrochloric Acid SCHEMBL7499749 0.99 MEN1 (0.46) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8564365 0.89 ALDH1A1 (0.49) MEN1KMT2AKCNH2POLBCACNA1F
Hydrochloric Acid SCHEMBL7507211 0.89 KDM4E (0.49) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8565386 0.88 SCN5A (0.41) KMT2AKCNH2POLBSCN5AALDH1A1
SCHEMBL5240300 0.87 SCN5A (0.38) MEN1KMT2AKCNH2POLBCACNA1F
Hydrochloric Acid SCHEMBL7501604 0.87 SCN5A (0.41) KMT2AKCNH2POLBSCN5AALDH1A1
SCHEMBL8572102 0.86 SCN5A (0.39) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8572099 0.86 SCN5A (0.39) MEN1KMT2AKCNH2POLBCACNA1F

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US claimed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed