SCHEMBL9080102

SCHEMBL9080102

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(Cc4nccs4)c3c2F)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.69
ADRA2B P18089 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 7/20 0.53
HPGD P15428 7/20 0.53
HSD17B10 Q99714 6/20 0.53
ALB P02768 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
DRD3 P35462 1/20 0.49
TUBB4A P04350 1/20 0.49
POLB P06746 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49

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
Hydrochloric Acid SCHEMBL7013142 0.99 KDM4E (0.68) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL9079640 0.91 KDM4E (0.57) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL7006115 0.91 KDM4E (0.59) KDM4EADRA2BMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7007780 0.90 KDM4E (0.56) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL9079034 0.89 KDM4E (0.55) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL9079578 0.89 KDM4E (0.55) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL9278869 0.88 KDM4E (0.54) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL9079172 0.88 KDM4E (0.54) KDM4EADRA2BMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9077638 0.87 KDM4E (0.53) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL7006577 0.87 KDM4E (0.52) 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
US-5519024-A CELL ADHESION INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-21 US claimed