SCHEMBL9582162

SCHEMBL9582162

C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2C[C@@H]4C)CCN1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.66
ALDH1A1 P00352 8/20 0.66
HPGD P15428 7/20 0.66
HSD17B10 Q99714 6/20 0.66
KCNH2 Q12809 4/20 0.66
POLB P06746 3/20 0.66
OPRM1 P35372 2/20 0.66
PRKD3 O94806 1/20 0.66
ALOX15 P16050 1/20 0.66
CLK2 P49760 1/20 0.66
CLK4 Q9HAZ1 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
PMP22 Q01453 1/20 0.65
LMNA P02545 3/20 0.59
HRH3 Q9Y5N1 2/20 0.52
ALB P02768 1/20 0.52
AADAT Q8N5Z0 2/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51

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
SCHEMBL9034122 1.00 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9582852 1.00 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9582727 1.00 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10KCNH2
Hydrochloric Acid SCHEMBL9582976 0.99 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10KCNH2
Hydrochloric Acid SCHEMBL9583159 0.99 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10KCNH2
Hydrochloric Acid SCHEMBL9034760 0.99 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10KCNH2
Hydrochloric Acid SCHEMBL9582082 0.99 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10KCNH2
Hydrochloric Acid SCHEMBL9583449 0.99 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9582000 0.95 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9034517 0.95 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10KCNH2

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-5185337-A Pyrroloquinoline derivatives and pharmaceutical compositions for antimicrobial use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-02-09 US disclosed