SCHEMBL10434007

SCHEMBL10434007

C[C@@H]1CSc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.71
ADRA2B P18089 1/20 0.71
MAPK1 P28482 1/20 0.71
ALDH1A1 P00352 7/20 0.69
HPGD P15428 6/20 0.69
HSD17B10 Q99714 4/20 0.69
ALB P02768 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67
POLB P06746 2/20 0.66
TUBB4A P04350 1/20 0.66
TUBB P07437 1/20 0.66
TUBA3C P0DPH7 1/20 0.66
TUBA1B P68363 1/20 0.66
TUBA4A P68366 1/20 0.66
TUBB4B P68371 1/20 0.66
TUBB3 Q13509 1/20 0.66
TUBB2A Q13885 1/20 0.66
TUBB8 Q3ZCM7 1/20 0.66
TUBA3E Q6PEY2 1/20 0.66
TUBA1A Q71U36 1/20 0.66

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
SCHEMBL10434082 1.00 KDM4E (0.71) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL8921051 0.89 TOP2A (0.60) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL11035249 0.88 KDM4E (0.55) KDM4EADRA2BMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9866854 0.87 KDM4E (0.68) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL10433860 0.83 TOP2A (0.70) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL10433916 0.83 TOP2A (0.70) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL10727411 0.83 TOP2A (0.70) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL9581753 0.83 KDM4E (0.71) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL9034716 0.83 KDM4E (0.71) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL9582683 0.83 KDM4E (0.71) KDM4EADRA2BMAPK1ALDH1A1HPGD

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
EP-0368410-A2 Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation GIST-BROCADES N.V. (NL) 1990-05-16 EP disclosed