SCHEMBL7990159

SCHEMBL7990159

CCCCNc1nc(NC(=O)OCCCC)nc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
NFKB1 P19838 1/20 0.46
STAT1 P42224 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ACP1 P24666 1/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CASP1 P29466 1/20 0.43
GAA P10253 1/20 0.43
IDH1 O75874 1/20 0.43
KCNH3 Q9ULD8 1/20 0.43

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
SCHEMBL6576665 0.93 RAB9A (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL7981524 0.85 RAB9A (0.47) POLBSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7537505 0.82 POLB (0.65) POLBSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7806424 0.81 RAB9A (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL7985305 0.80 RAB9A (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL7239923 0.80 ALDH1A1 (0.56) POLBSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL994563 0.78 RAB9A (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL8039439 0.77 KCNH3 (0.65) POLBRAB9ANPC1ALDH1A1STAT1
SCHEMBL2906397 0.74 RAB9A (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL7244671 0.74 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1CYP2C19HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204382-B1 CARBOXYLATION WITH CARBON DIOXIDE CYTEC TECHNOLOGY CORP. 2001-03-20 US disclosed
US-5792864-A Processes for preparing isocyanate functional 1,3,5-triazines and derivatives thereof CYTEC TECHNOLOGY CORP. (US) 1998-08-11 US disclosed
US-5792865-A Carboxylated amino-1,3,5-triazines, derivatives thereof and processes for preparing the same CYTEC TECHNOLOGY CORP. (US) 1998-08-11 US disclosed
US-5641885-A Carboxylated amino-1,3,5 triazines and derivatives thereof CYTEC TECHNOLOGY CORP. (US) 1997-06-24 US disclosed
EP-0776321-A1 PROCESS FOR THE PREPARATION OF CARBOXYLATED AMINO-1,3,5-TRIAZINES AND DERIVATIVES THEREOF CYTEC TECHNOLOGY CORP. (US) 1997-06-04 EP disclosed
WO-1996004258-A1 PROCESS FOR THE PREPARATION OF CARBOXYLATED AMINO-1,3,5-TRIAZINES AND DERIVATIVES THEREOF CYTEC TECHNOLOGY CORP. (US) 1996-02-15 WO disclosed