SCHEMBL8851726

SCHEMBL8851726

C=Cc1c(F)c(N2CC3CC4CCCN4C3C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KCNH2 Q12809 5/20 0.49
▸ POLB P06746 3/20 0.49
▸ CACNA1F O60840 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CACNA1D Q01668 1/20 0.49
▸ CACNA1S Q13698 1/20 0.49
▸ CACNA1C Q13936 1/20 0.49
▸ GSK3B P49841 6/20 0.42
▸ TOP2A P11388 2/20 0.40
▸ TOP2B Q02880 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ OPRD1 P41143 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
SCHEMBL9233062 0.88 MEN1 (0.38) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8851657 0.83 MEN1 (0.59) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8852505 0.80 ALDH1A1 (0.60) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8851982 0.80 ALDH1A1 (0.60) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8851978 0.80 ALDH1A1 (0.60) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9083171 0.80 POLB (0.58) MEN1KMT2AKCNH2POLBCACNA1F
Hydrochloric Acid SCHEMBL8852523 0.79 POLB (0.58) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8851733 0.79 MEN1 (0.48) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8852040 0.78 MEN1 (0.54) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8851701 0.77 MEN1 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5659038-A GRAMPOSITIVE/GRAMNEGATIVE MICROBIOCIDES; ANTISEPTICS, HUMAN AND VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 — — US disclosed
US-5578604-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 — — US disclosed
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