SCHEMBL7004700

SCHEMBL7004700

O=C(NCCCc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
NAMPT P43490 9/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL6646546 0.83 NAMPT (0.56) NAMPTMEN1KMT2A
SCHEMBL8780738 0.83 NAMPT (0.71) NAMPT
SCHEMBL7011089 0.83 NAMPT (0.65) NAMPT
SCHEMBL5191160 0.80 ALDH1A1 (0.48) MAPTL3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL5089385 0.79 NAMPT (0.44) NAMPT
SCHEMBL23842313 0.77 HDAC1 (0.78) MAPTSMN1; SMN2RAB9ANPC1TAAR1
SCHEMBL8612164 0.77 HDAC1 (0.78) MAPTSMN1; SMN2RAB9ANPC1TAAR1
SCHEMBL7117502 0.77 KMT2A (0.48) MAPTRAB9ANPC1SIGMAR1MEN1
SCHEMBL7168678 0.76 HDAC1 (0.64) MAPTSMN1; SMN2RAB9ANPC1TAAR1
SCHEMBL11621538 0.76 MAPT (0.81) MAPTSMN1; SMN2RAB9ANPC1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268444-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-02 EP disclosed
EP-1268445-A1 4-AMINO-5-CYANO-2-ANILINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CELL-CYCLE KINASES AstraZeneca AB (SE) 2003-01-02 EP disclosed
WO-2001072717-A1 4-AMINO-5-CYANO-2-ANILINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CELL-CYCLE KINASES ASTRAZENECA AB (SE) 2001-10-04 WO disclosed
WO-2001064655-A1 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO disclosed