SCHEMBL8201117

SCHEMBL8201117

C=C(C)C(=O)NCCCN(CC)CC.CCS(=O)(=O)O.CCS(=O)(=O)O

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.34
ACKR3 P25106 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL7805718 0.92 PAOX (0.50) PAOXALDH1A1LMNAGAAALOX15
SCHEMBL93199 0.92 ALDH1A1 (0.51) PAOXALDH1A1LMNAGAAALOX15
SCHEMBL109907 0.90 PAOX (0.47) PAOXALDH1A1LMNAGAAALOX15
Hydrochloric Acid SCHEMBL10636930 0.90 ALDH1A1 (0.50) PAOXALDH1A1LMNAGAAALOX15
SCHEMBL489415 0.89 PAOX (0.50) PAOXALDH1A1LMNAGAAALOX15
Chloromethane SCHEMBL1425450 0.89 ALDH1A1 (0.49) PAOXALDH1A1LMNAGAAALOX15
SCHEMBL110059 0.89 PAOX (0.50) PAOXALDH1A1LMNAGAAALOX15
SCHEMBL28507225 0.86 KDM4E (0.48) PAOXLMNAKDM4E
SCHEMBL8145686 0.86 KDM4E (0.48) PAOXALDH1A1LMNAGAAALOX15
SCHEMBL5444884 0.86 ALDH1A1 (0.46) PAOXALDH1A1LMNAGAAALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673956-B1 Binder for coating materials containing dispersed inorganic powder, coating material containing dispersed inorganic powder, and magnetic recording medium NIPPON ZEON CO (JP) 2000-01-05 EP disclosed
US-5607772-A POLYURETHANE HAVING TERMINAL EPOXY GROUPS NIPPON ZEON CO., LTD. (JP) 1997-03-04 US disclosed
EP-0673956-A1 Binder for coating materials containing dispersed inorganic powder, coating material containing dispersed inorganic powder, and magnetic recording medium NIPPON ZEON CO., LTD. (JP) 1995-09-27 EP disclosed