SCHEMBL8324345

SCHEMBL8324345

C=CCN(C#CC)C(=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NSD2 O96028 1/20 0.41
LSS P48449 3/20 0.41
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TSHR P16473 1/20 0.35
PTPN1 P18031 1/20 0.34
NPC1 O15118 1/20 0.34
HTR7 P34969 1/20 0.34
MAPT P10636 1/20 0.34
MCHR1 Q99705 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
SCHEMBL31453528 0.76 SMN1; SMN2 (0.60) SMN1; SMN2NSD2LSSRAB9ALMNA
SCHEMBL11113968 0.71 SMN1; SMN2 (0.47) SMN1; SMN2NSD2LSSRAB9ALMNA
SCHEMBL8328125 0.71 SMN1; SMN2 (0.50) SMN1; SMN2NSD2LSSRAB9AKMT2A
SCHEMBL10385413 0.70 SMN1; SMN2 (0.45) SMN1; SMN2NSD2LSSRAB9ALMNA
SCHEMBL28362457 0.67 CYP1A2 (0.49) NSD2LSSRAB9AKMT2ACYP1A2
SCHEMBL15282513 0.67 PTPN1 (0.52) SMN1; SMN2LSSRAB9ALMNAKMT2A
SCHEMBL176438 0.66 MEN1 (0.47) SMN1; SMN2LMNAKMT2ATSHRMAPT
SCHEMBL27721331 0.66 KMT2A (0.40) SMN1; SMN2LSSRAB9AKMT2ACYP1A2
SCHEMBL11782027 0.66 TSHR (0.47) SMN1; SMN2LSSLMNAKMT2ATSHR
SCHEMBL3823752 0.66 CES2 (0.53) SMN1; SMN2LSSRAB9ALMNAKMT2A

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed