SCHEMBL5478013

SCHEMBL5478013

CN(C)CCCNc1c2cc(F)ccc2nc2c1ccc1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.57
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
SLC2A1 P11166 1/20 0.57
APOBEC3A P31941 1/20 0.57
RAB9A P51151 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
FLT3 P36888 6/20 0.49
TERT O14746 3/20 0.49
UHRF1 Q96T88 1/20 0.49
TOP2A P11388 2/20 0.49
SCN9A Q15858 1/20 0.47
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL14388990 0.87 RAD52 (0.75) RAD52POLBKMT2ANPC1SLC2A1
SCHEMBL3952873 0.86 RAD52 (0.78) RAD52POLBKMT2ANPC1SLC2A1
SCHEMBL14388988 0.86 TERT (0.57) RAD52POLBKMT2ANPC1SLC2A1
SCHEMBL18655357 0.79 MAOA (0.49) KMT2ANPC1RAB9ASCN9A
SCHEMBL31087715 0.74 RAD52 (1.00) RAD52POLBKMT2ANPC1SLC2A1
SCHEMBL4725486 0.74 RAD52 (1.00) RAD52POLBKMT2ANPC1SLC2A1
SCHEMBL10310536 0.71 TOP2A (0.57) RAD52POLBKMT2ANPC1SLC2A1
SCHEMBL530085 0.70 KMT2A (0.50) RAD52POLBKMT2ANPC1SLC2A1
SCHEMBL18631798 0.70 POLB (0.49) RAD52POLBKMT2ANPC1SLC2A1
SCHEMBL18655358 0.70 MAOA (0.43) KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854509-A2 Methods and compositions for restoring conformational stability of a protein of the p53 family Pfizer Products Inc. (US) 2007-11-14 EP claimed
EP-1137418-A2 METHODS AND COMPOSITIONS FOR RESTORING CONFORMATIONAL STABILITY OF A PROTEIN OF THE p53 FAMILY Pfizer Products Inc. (US) 2001-10-04 EP claimed
WO-2000032175-A2 METHODS AND COMPOSITIONS FOR RESTORING CONFORMATIONAL STABILITY OF A PROTEIN OF THE p53 FAMILY PFIZER PRODUCTS INC. (US) 2000-06-08 WO claimed
EP-1854509-A2 Methods and compositions for restoring conformational stability of a protein of the p53 family Pfizer Products Inc. (US) 2007-11-14 EP disclosed
EP-1854509-A2 Methods and compositions for restoring conformational stability of a protein of the p53 family Pfizer Products Inc. (US) 2007-11-14 EP disclosed
EP-1137418-A2 METHODS AND COMPOSITIONS FOR RESTORING CONFORMATIONAL STABILITY OF A PROTEIN OF THE p53 FAMILY Pfizer Products Inc. (US) 2001-10-04 EP disclosed
WO-2000032175-A2 METHODS AND COMPOSITIONS FOR RESTORING CONFORMATIONAL STABILITY OF A PROTEIN OF THE p53 FAMILY PFIZER PRODUCTS INC. (US) 2000-06-08 WO disclosed