SCHEMBL11035249

SCHEMBL11035249

CC1CSc2c(N3CCN(C)CC3)c(Cl)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
ADRA2B P18089 1/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 7/20 0.55
HPGD P15428 5/20 0.55
HSD17B10 Q99714 3/20 0.55
ALB P02768 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
POLB P06746 3/20 0.54
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54

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
SCHEMBL10434007 0.88 KDM4E (0.71) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL10434082 0.88 KDM4E (0.71) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL11160975 0.83 KDM4E (0.57) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL11162090 0.81 LMNA (0.64) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL9703884 0.81 KDM4E (0.55) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL11080275 0.80 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL8435558 0.80 ALDH1A1 (0.58) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL8921051 0.78 TOP2A (0.60) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL10733184 0.77 TOP2A (0.67) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL10433914 0.77 TOP2A (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59076091-A None JP disclosed
JP-S5976091-A PYRIDO (1,2,3-DE)(1,4)BENZOTHIAZINE DERIVATIVE OTSUKA PHARMACEUT CO LTD 1984-04-28 JP disclosed