SCHEMBL7868098

SCHEMBL7868098

CC(C)(C)[C@H](N)C(=O)Nc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.56
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
NAMPT P43490 2/20 0.52
ALOX15 P16050 1/20 0.52
LMNA P02545 1/20 0.51
HIF1A Q16665 1/20 0.51
AHR P35869 1/20 0.51
NOTUM Q6P988 1/20 0.51
KMT2A Q03164 1/20 0.50

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 SCHEMBL7874804 0.98 FFAR2 (0.54) FFAR2RAB9ANPC1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7868142 0.98 FFAR2 (0.54) FFAR2RAB9ANPC1HTTSMN1; SMN2
SCHEMBL22939497 0.84 HTT (0.61) FFAR2RAB9ANPC1HTTSMN1; SMN2
SCHEMBL1800442 0.84 HTT (0.61) FFAR2RAB9ANPC1HTTSMN1; SMN2
Iodide SCHEMBL3094071 0.83 HTT (0.59) FFAR2RAB9ANPC1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8009982 0.83 HTT (0.59) FFAR2RAB9ANPC1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8009979 0.83 HTT (0.59) FFAR2RAB9ANPC1HTTSMN1; SMN2
SCHEMBL6625479 0.82 CIT (0.52) FFAR2HTTSMN1; SMN2LMNA
SCHEMBL7425368 0.82 CIT (0.52) FFAR2HTTSMN1; SMN2LMNA
SCHEMBL8396733 0.82 MAPT (0.57) RAB9ANPC1HTTSMN1; SMN2LMNA

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-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US claimed
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed