SCHEMBL9871406

SCHEMBL9871406

C[C@H]1CN(C)c2c(C3(NC(=O)OCc4ccccc4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3B P49841 2/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALB P02768 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
AADAT Q8N5Z0 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL9873589 0.85 KDM4E (0.62) KDM4EKMT2AALDH1A1POLBGSK3B
SCHEMBL9873617 0.78 KDM4E (0.53) KDM4EKMT2AALDH1A1POLBGSK3B
SCHEMBL9873918 0.75 GSK3B (0.38) KDM4EKMT2AALDH1A1POLBLMNA
SCHEMBL9873914 0.75 GSK3B (0.38) KDM4EKMT2AALDH1A1POLBLMNA
SCHEMBL11050375 0.75 TOP2A (0.55) KDM4EKMT2AALDH1A1POLBLMNA
SCHEMBL9872702 0.74 GSK3B (0.52) KDM4EKMT2AALDH1A1POLBGSK3B
SCHEMBL9872703 0.73 CNR1 (0.45) KDM4EKMT2ATUBB4ATUBBTUBA3C
SCHEMBL9874750 0.73 CNR1 (0.45) KDM4EKMT2ATUBB4ATUBBTUBA3C
SCHEMBL9875270 0.72 GSK3B (0.50) KDM4EKMT2AALDH1A1POLBGSK3B
SCHEMBL9873482 0.71 GSK3B (0.52) KDM4EKMT2AGSK3BTOP2ATOP2B

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-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed