SCHEMBL9079640

SCHEMBL9079640

O=C(O)c1cn(Cc2nccs2)c2c(F)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.57
HPGD P15428 8/20 0.54
HSD17B10 Q99714 8/20 0.54
ALDH1A1 P00352 8/20 0.54
PMP22 Q01453 1/20 0.54
LMNA P02545 3/20 0.50
CYP2C9 P11712 2/20 0.50
ATP6V1B2 P21281 1/20 0.50
TBXA2R P21731 1/20 0.50
EDNRA P25101 1/20 0.50
TARBP2 Q15633 1/20 0.50
BRD4 O60885 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
CYP2J2 P51589 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TOP2A P11388 5/20 0.45
TOP2B Q02880 4/20 0.45
TOP1 P11387 1/20 0.44
ADRA2B P18089 1/20 0.44

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 SCHEMBL7007780 0.99 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1PMP22
Hydrochloric Acid SCHEMBL9077638 0.96 KDM4E (0.53) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL7006577 0.92 KDM4E (0.52) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9080102 0.91 KDM4E (0.69) KDM4EHPGDHSD17B10ALDH1A1PMP22
Hydrochloric Acid SCHEMBL7013142 0.90 KDM4E (0.68) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL7006115 0.87 KDM4E (0.59) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9278869 0.86 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9079034 0.86 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9079172 0.84 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL7008956 0.84 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1PMP22

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