SCHEMBL9186427

SCHEMBL9186427

C=Cc1c(N2C[C@H]3CCCN[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.74
▸ KDM4E B2RXH2 6/20 0.74
▸ HPGD P15428 6/20 0.74
▸ HSD17B10 Q99714 6/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ KCNH2 Q12809 6/20 0.51
▸ POLB P06746 2/20 0.51
▸ OPRM1 P35372 2/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CHRM2 P08172 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ TOP2A P11388 4/20 0.46
▸ TOP2B Q02880 4/20 0.46
▸ LMNA P02545 2/20 0.46

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
SCHEMBL8804623 1.00 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9186416 1.00 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9187923 0.99 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL30353205 0.90 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8982729 0.90 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8982731 0.90 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL6215890 0.90 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8804629 0.89 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL30655794 0.89 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL8740956 0.89 ALDH1A1 (0.83) ALDH1A1KDM4EHPGDHSD17B10MEN1

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-5468742-A Antibacterial agents, feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 — — US disclosed
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