SCHEMBL7724161

SCHEMBL7724161

CNC(=S)NNC(=O)c1ccccc1N

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 3/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
RAB9A P51151 1/20 0.47
CFTR P13569 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL9921278 0.84 KDM4E (0.60) ALDH1A1MAPTKDM4EKMT2ACA1
SCHEMBL7729391 0.82 CA1 (0.68) ALDH1A1MAPTKDM4EKMT2ACA1
SCHEMBL9254644 0.80 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EKMT2ARAB9A
SCHEMBL8763632 0.80 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EKMT2ARAB9A
SCHEMBL24820550 0.80 ALDH1A1 (1.00) ALDH1A1MAPTKMT2ARAB9AGAA
SCHEMBL375579 0.80 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ERAB9ACFTR
SCHEMBL6366964 0.79 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EKMT2ARAB9A
SCHEMBL30385607 0.78 KDM4E (0.55) ALDH1A1MAPTKDM4EKMT2ACA1
Hydrochloric Acid SCHEMBL27744263 0.78 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ERAB9ACFTR
Acetic Acid SCHEMBL28650473 0.75 KDM4E (0.56) ALDH1A1MAPTKDM4EKMT2ARAB9A

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
US-6420367-B1 RAS GENE SHIONOGO & CO., LTD. (JP) 2002-07-16 US disclosed
EP-1097933-A1 PYRIMIDINE DERIVATIVES EXHIBITING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-05-09 EP disclosed