SCHEMBL8007527

SCHEMBL8007527

COC(=O)c1cc(C(=O)NCCN(C)C)cc(-c2cc(C)ccc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 4/20 0.46
MAPK14 Q16539 1/20 0.45
S1PR4 O95977 1/20 0.40
HCRTR2 O43614 1/20 0.40
USP2 O75604 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.38
SMYD2 Q9NRG4 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
HPGD P15428 2/20 0.38
ALOX5 P09917 1/20 0.38

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 SCHEMBL8005263 0.88 SMN1; SMN2 (0.46) HTTSMN1; SMN2ALDH1A1HCRTR2MEN1
Hydrochloric Acid SCHEMBL8004278 0.88 SMN1; SMN2 (0.47) HTTSMN1; SMN2ALDH1A1MAPK14MEN1
SCHEMBL8005080 0.79 KMT2A (0.51) SMN1; SMN2ALDH1A1MEN1KMT2APDGFRB
Hydrochloric Acid SCHEMBL7995813 0.78 KMT2A (0.50) SMN1; SMN2ALDH1A1MEN1KMT2APDGFRB
Hydrochloric Acid SCHEMBL8007541 0.78 CCNT1 (0.45) SMN1; SMN2ALDH1A1MAPK14KMT2APDGFRB
SCHEMBL8444019 0.78 CA12 (0.54) HTTSMN1; SMN2ALDH1A1USP2SETD7
SCHEMBL8440609 0.77 HPGD (0.46) HTTSMN1; SMN2ALDH1A1USP2MEN1
Hydrochloric Acid SCHEMBL8004286 0.77 CYP2D6 (0.47) SMN1; SMN2ALDH1A1SETD7MEN1KMT2A
SCHEMBL8440765 0.76 MAPK1 (0.45) SMN1; SMN2ALDH1A1USP2SETD7MEN1
Hydrochloric Acid SCHEMBL8663603 0.76 CYP2D6 (0.47) SMN1; SMN2ALDH1A1KMT2APDGFRBHPGD

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
US-6017917-A Guanidine derivatives FUJISAWA PHARAMCEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0876338-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997025310-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-17 WO disclosed